4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine

C164H218N30O8S19 — CID 157258195

IUPAC4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine
SMILESCOc1ccc(SC)cc1OC.CSC.CSCCCc1ccccc1.CSCCCc1ccccn1.CSCCCc1ccncc1.CSCCOc1ccccc1.CSCCc1ccc2ccccc2n1.CSCCc1ccccc1.CSCCc1ccccn1.CSCCn1cc(C)c(=O)[nH]c1=O.CSCCn1ccc(-c2cccnc2)n1.CSCCn1ccc(-c2ccncc2)n1.CSCCn1ccc(=O)[nH]c1=O.CSCCn1ccc(N)nc1=O.CSCCn1cnc(-c2cccnc2)n1.CSCCn1cnc(-c2ccncc2)n1.CSCCn1cnc2c(N)ncnc21.CSCc1ccccc1.CSc1ccccc1
InChIInChI=1S/C12H13NS.2C11H13N3S.2C10H12N4S.C10H14S.2C9H13NS.C9H12O2S.C9H12OS.C9H12S.C8H11N5S.C8H12N2O2S.C8H11NS.C8H10S.C7H11N3OS.C7H10N2O2S.C7H8S.C2H6S/c1-14-9-8-11-7-6-10-4-2-3-5-12(10)13-11;1-15-9-8-14-7-4-11(13-14)10-2-5-12-6-3-10;1-15-8-7-14-6-4-11(13-14)10-3-2-5-12-9-10;1-15-7-6-14-8-12-10(13-14)9-2-4-11-5-3-9;1-15-6-5-14-8-12-10(13-14)9-3-2-4-11-7-9;1-11-9-5-8-10-6-3-2-4-7-10;1-11-8-2-3-9-4-6-10-7-5-9;1-11-8-4-6-9-5-2-3-7-10-9;1-10-8-5-4-7(12-3)6-9(8)11-2;1-11-8-7-10-9-5-3-2-4-6-9;1-10-8-7-9-5-3-2-4-6-9;1-14-3-2-13-5-12-6-7(9)10-4-11-8(6)13;1-6-5-10(3-4-13-2)8(12)9-7(6)11;1-10-7-5-8-4-2-3-6-9-8;1-9-7-8-5-3-2-4-6-8;1-12-5-4-10-3-2-6(8)9-7(10)11;1-12-5-4-9-3-2-6(10)8-7(9)11;1-8-7-5-3-2-4-6-7;1-3-2/h2-7H,8-9H2,1H3;2-7H,8-9H2,1H3;2-6,9H,7-8H2,1H3;2-5,8H,6-7H2,1H3;2-4,7-8H,5-6H2,1H3;2-4,6-7H,5,8-9H2,1H3;4-7H,2-3,8H2,1H3;2-3,5,7H,4,6,8H2,1H3;4-6H,1-3H3;2-6H,7-8H2,1H3;2-6H,7-8H2,1H3;4-5H,2-3H2,1H3,(H2,9,10,11);5H,3-4H2,1-2H3,(H,9,11,12);2-4,6H,5,7H2,1H3;2-6H,7H2,1H3;2-3H,4-5H2,1H3,(H2,8,9,11);2-3H,4-5H2,1H3,(H,8,10,11);2-6H,1H3;1-2H3
InChIKeyAXDHVPOGZQKPEW-UHFFFAOYSA-N
MW3347.02 g/mol
LogP35.34
Rot. Bonds59

About 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine

4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine (PubChem CID 157258195) has the molecular formula C164H218N30O8S19 and a molecular weight of 3347.02 g/mol. Its IUPAC name is 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine.

Molecular Properties

Compound Name4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine
PubChem CID157258195
Molecular FormulaC164H218N30O8S19
Molecular Weight3347.02 g/mol
Exact Mass3343.23
IUPAC Name4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine
SMILESCOc1ccc(SC)cc1OC.CSC.CSCCCc1ccccc1.CSCCCc1ccccn1.CSCCCc1ccncc1.CSCCOc1ccccc1.CSCCc1ccc2ccccc2n1.CSCCc1ccccc1.CSCCc1ccccn1.CSCCn1cc(C)c(=O)[nH]c1=O.CSCCn1ccc(-c2cccnc2)n1.CSCCn1ccc(-c2ccncc2)n1.CSCCn1ccc(=O)[nH]c1=O.CSCCn1ccc(N)nc1=O.CSCCn1cnc(-c2cccnc2)n1.CSCCn1cnc(-c2ccncc2)n1.CSCCn1cnc2c(N)ncnc21.CSCc1ccccc1.CSc1ccccc1
InChIInChI=1S/C12H13NS.2C11H13N3S.2C10H12N4S.C10H14S.2C9H13NS.C9H12O2S.C9H12OS.C9H12S.C8H11N5S.C8H12N2O2S.C8H11NS.C8H10S.C7H11N3OS.C7H10N2O2S.C7H8S.C2H6S/c1-14-9-8-11-7-6-10-4-2-3-5-12(10)13-11;1-15-9-8-14-7-4-11(13-14)10-2-5-12-6-3-10;1-15-8-7-14-6-4-11(13-14)10-3-2-5-12-9-10;1-15-7-6-14-8-12-10(13-14)9-2-4-11-5-3-9;1-15-6-5-14-8-12-10(13-14)9-3-2-4-11-7-9;1-11-9-5-8-10-6-3-2-4-7-10;1-11-8-2-3-9-4-6-10-7-5-9;1-11-8-4-6-9-5-2-3-7-10-9;1-10-8-5-4-7(12-3)6-9(8)11-2;1-11-8-7-10-9-5-3-2-4-6-9;1-10-8-7-9-5-3-2-4-6-9;1-14-3-2-13-5-12-6-7(9)10-4-11-8(6)13;1-6-5-10(3-4-13-2)8(12)9-7(6)11;1-10-7-5-8-4-2-3-6-9-8;1-9-7-8-5-3-2-4-6-8;1-12-5-4-10-3-2-6(8)9-7(10)11;1-12-5-4-9-3-2-6(10)8-7(9)11;1-8-7-5-3-2-4-6-7;1-3-2/h2-7H,8-9H2,1H3;2-7H,8-9H2,1H3;2-6,9H,7-8H2,1H3;2-5,8H,6-7H2,1H3;2-4,7-8H,5-6H2,1H3;2-4,6-7H,5,8-9H2,1H3;4-7H,2-3,8H2,1H3;2-3,5,7H,4,6,8H2,1H3;4-6H,1-3H3;2-6H,7-8H2,1H3;2-6H,7-8H2,1H3;4-5H,2-3H2,1H3,(H2,9,10,11);5H,3-4H2,1-2H3,(H,9,11,12);2-4,6H,5,7H2,1H3;2-6H,7H2,1H3;2-3H,4-5H2,1H3,(H2,8,9,11);2-3H,4-5H2,1H3,(H,8,10,11);2-6H,1H3;1-2H3
InChIKeyAXDHVPOGZQKPEW-UHFFFAOYSA-N
XLogP35.34
TPSA468.12 Ų
H-Bond Donors4
H-Bond Acceptors55
Rotatable Bonds59
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003347.02
LogP ≤ 535.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine with MolForge

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Related Compounds

Methane;4-(4-methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
CID 157186192
1-[2-(1-ethylpyrrol-3-yl)ethyl]-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea;1-(2-indazol-1-ylethyl)-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea;1-[2-(2-methoxyphenoxy)ethyl]-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea;N-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]-3-(2-phenylethyl)pyrrolidine-1-carboxamide;bis(1-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]-3-[2-(1-propylimidazol-4-yl)ethyl]urea)
CID 159744527
4-(4-Methoxyphenyl)-1-(3-methylsulfanylpropyl)pyrazole;5-methyl-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione;9-(4-methylsulfanylbutyl)purin-6-amine;3-(2-methylsulfanylethyl)imidazo[4,5-b]pyridine;9-(2-methylsulfanylethyl)purine;9-(2-methylsulfanylethyl)purine-2,6-diamine;1-(2-methylsulfanylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine;9-(3-methylsulfanylpropyl)purine;1-[4-[1-(3-methylsulfanylpropyl)pyrazol-4-yl]phenyl]ethanone;3-[1-(3-methylsulfanylpropyl)pyrazol-3-yl]pyridine;1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
CID 161296503

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine?
The IUPAC name of 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine (CID 157258195) is 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine.
What is the SMILES notation for 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine?
The canonical SMILES for 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine is COc1ccc(SC)cc1OC.CSC.CSCCCc1ccccc1.CSCCCc1ccccn1.CSCCCc1ccncc1.CSCCOc1ccccc1.CSCCc1ccc2ccccc2n1.CSCCc1ccccc1.CSCCc1ccccn1.CSCCn1cc(C)c(=O)[nH]c1=O.CSCCn1ccc(-c2cccnc2)n1.CSCCn1ccc(-c2ccncc2)n1.CSCCn1ccc(=O)[nH]c1=O.CSCCn1ccc(N)nc1=O.CSCCn1cnc(-c2cccnc2)n1.CSCCn1cnc(-c2ccncc2)n1.CSCCn1cnc2c(N)ncnc21.CSCc1ccccc1.CSc1ccccc1.
What is the InChIKey of 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine?
The InChIKey is AXDHVPOGZQKPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS.2C11H13N3S.2C10H12N4S.C10H14S.2C9H13NS.C9H12O2S.C9H12OS.C9H12S.C8H11N5S.C8H12N2O2S.C8H11NS.C8H10S.C7H11N3OS.C7H10N2O2S.C7H8S.C2H6S/c1-14-9-8-11-7-6-10-4-2-3-5-12(10)13-11;1-15-9-8-14-7-4-11(13-14)10-2-5-12-6-3-10;1-15-8-7-14-6-4-11(13-14)10-3-2-5-12-9-10;1-15-7-6-14-8-12-10(13-14)9-2-4-11-5-3-9;1-15-6-5-14-8-12-10(13-14)9-3-2-4-11-7-9;1-11-9-5-8-10-6-3-2-4-7-10;1-11-8-2-3-9-4-6-10-7-5-9;1-11-8-4-6-9-5-2-3-7-10-9;1-10-8-5-4-7(12-3)6-9(8)11-2;1-11-8-7-10-9-5-3-2-4-6-9;1-10-8-7-9-5-3-2-4-6-9;1-14-3-2-13-5-12-6-7(9)10-4-11-8(6)13;1-6-5-10(3-4-13-2)8(12)9-7(6)11;1-10-7-5-8-4-2-3-6-9-8;1-9-7-8-5-3-2-4-6-8;1-12-5-4-10-3-2-6(8)9-7(10)11;1-12-5-4-9-3-2-6(10)8-7(9)11;1-8-7-5-3-2-4-6-7;1-3-2/h2-7H,8-9H2,1H3;2-7H,8-9H2,1H3;2-6,9H,7-8H2,1H3;2-5,8H,6-7H2,1H3;2-4,7-8H,5-6H2,1H3;2-4,6-7H,5,8-9H2,1H3;4-7H,2-3,8H2,1H3;2-3,5,7H,4,6,8H2,1H3;4-6H,1-3H3;2-6H,7-8H2,1H3;2-6H,7-8H2,1H3;4-5H,2-3H2,1H3,(H2,9,10,11);5H,3-4H2,1-2H3,(H,9,11,12);2-4,6H,5,7H2,1H3;2-6H,7H2,1H3;2-3H,4-5H2,1H3,(H2,8,9,11);2-3H,4-5H2,1H3,(H,8,10,11);2-6H,1H3;1-2H3.
What are the key properties of 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine?
4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine has a molecular weight of 3347.02 g/mol, XLogP of 35.34, 59 rotatable bonds, 4 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylsulfanylethyl)pyrimidin-2-one;1,2-dimethoxy-4-methylsulfanylbenzene;5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;methylsulfanylbenzene;2-methylsulfanylethoxybenzene;2-methylsulfanylethylbenzene;9-(2-methylsulfanylethyl)purin-6-amine;3-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)pyrazol-3-yl]pyridine;2-(2-methylsulfanylethyl)pyridine;1-(2-methylsulfanylethyl)pyrimidine-2,4-dione;2-(2-methylsulfanylethyl)quinoline;3-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;4-[1-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]pyridine;methylsulfanylmethane;methylsulfanylmethylbenzene;3-methylsulfanylpropylbenzene;2-(3-methylsulfanylpropyl)pyridine;4-(3-methylsulfanylpropyl)pyridine is sourced from PubChem (CID 157258195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).