4-benzylsulfanylthieno[2,3-d]pyrimidine

C13H10N2S2 — CID 710987

IUPAC4-benzylsulfanylthieno[2,3-d]pyrimidine
SMILESc1ccc(CSc2ncnc3sccc23)cc1
InChIInChI=1S/C13H10N2S2/c1-2-4-10(5-3-1)8-17-13-11-6-7-16-12(11)14-9-15-13/h1-7,9H,8H2
InChIKeyGEIHZHQRXYKYAE-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.98
Rot. Bonds3

About 4-benzylsulfanylthieno[2,3-d]pyrimidine

4-benzylsulfanylthieno[2,3-d]pyrimidine (PubChem CID 710987) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-benzylsulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-benzylsulfanylthieno[2,3-d]pyrimidine
PubChem CID710987
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name4-benzylsulfanylthieno[2,3-d]pyrimidine
SMILESc1ccc(CSc2ncnc3sccc23)cc1
InChIInChI=1S/C13H10N2S2/c1-2-4-10(5-3-1)8-17-13-11-6-7-16-12(11)14-9-15-13/h1-7,9H,8H2
InChIKeyGEIHZHQRXYKYAE-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-(4-chlorophenyl)thieno(2,3-d)pyrimidine
CID 708755
4-Chloro-5-(4-fluorophenyl)thieno(2,3-d)pyrimidine
CID 2782911
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
5,6,7,8-Tetrahydrobenzo(4,5)thieno(2,3-d)pyrimidin-4-amine
CID 258149
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
Ttp 22
CID 1536915
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
hGGPPS-IN-1
CID 71583205
1-methyl-5-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1H-1,2,3,4-tetrazole
CID 2432214
Methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 856427

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-benzylsulfanylthieno[2,3-d]pyrimidine (CID 710987) is 4-benzylsulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-benzylsulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-benzylsulfanylthieno[2,3-d]pyrimidine is c1ccc(CSc2ncnc3sccc23)cc1.
What is the InChIKey of 4-benzylsulfanylthieno[2,3-d]pyrimidine?
The InChIKey is GEIHZHQRXYKYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c1-2-4-10(5-3-1)8-17-13-11-6-7-16-12(11)14-9-15-13/h1-7,9H,8H2.
What are the key properties of 4-benzylsulfanylthieno[2,3-d]pyrimidine?
4-benzylsulfanylthieno[2,3-d]pyrimidine has a molecular weight of 258.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 710987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).