5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole

C12H13ClN4S — CID 47124356

IUPAC5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
SMILESCC(Sc1nnnn1C1CC1)c1ccccc1Cl
InChIInChI=1S/C12H13ClN4S/c1-8(10-4-2-3-5-11(10)13)18-12-14-15-16-17(12)9-6-7-9/h2-5,8-9H,6-7H2,1H3
InChIKeyGFNBPIRDYDNHRU-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.51
Rot. Bonds4

About 5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole

5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole (PubChem CID 47124356) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is 5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole.

Molecular Properties

Compound Name5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
PubChem CID47124356
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
SMILESCC(Sc1nnnn1C1CC1)c1ccccc1Cl
InChIInChI=1S/C12H13ClN4S/c1-8(10-4-2-3-5-11(10)13)18-12-14-15-16-17(12)9-6-7-9/h2-5,8-9H,6-7H2,1H3
InChIKeyGFNBPIRDYDNHRU-UHFFFAOYSA-N
XLogP3.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 110897654
1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole
CID 7856922
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,3-dichlorophenyl)propanamide
CID 51245048
1-cyclopropyl-5-[(2S)-4-phenylbutan-2-yl]sulfanyltetrazole
CID 97313120
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24519960
5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole
CID 7534712
2-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-3H-quinazolin-4-one
CID 135697587
6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 51280095
(3-chlorophenyl) 2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 87044222
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine
CID 7405377
(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol
CID 114057132

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole?
The IUPAC name of 5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole (CID 47124356) is 5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole.
What is the SMILES notation for 5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole?
The canonical SMILES for 5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole is CC(Sc1nnnn1C1CC1)c1ccccc1Cl.
What is the InChIKey of 5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole?
The InChIKey is GFNBPIRDYDNHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S/c1-8(10-4-2-3-5-11(10)13)18-12-14-15-16-17(12)9-6-7-9/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole?
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole has a molecular weight of 280.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole is sourced from PubChem (CID 47124356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).