1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole

C15H13ClN4S — CID 8859943

IUPAC1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
SMILESCc1cccc(CSc2nnnn2-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClN4S/c1-11-4-2-5-12(8-11)10-21-15-17-18-19-20(15)14-7-3-6-13(16)9-14/h2-9H,10H2,1H3
InChIKeyPKIUZHHZMKLSLA-UHFFFAOYSA-N
MW316.82 g/mol
LogP3.92
Rot. Bonds4

About 1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole

1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole (PubChem CID 8859943) has the molecular formula C15H13ClN4S and a molecular weight of 316.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
PubChem CID8859943
Molecular FormulaC15H13ClN4S
Molecular Weight316.82 g/mol
Exact Mass316.05
IUPAC Name1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
SMILESCc1cccc(CSc2nnnn2-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClN4S/c1-11-4-2-5-12(8-11)10-21-15-17-18-19-20(15)14-7-3-6-13(16)9-14/h2-9H,10H2,1H3
InChIKeyPKIUZHHZMKLSLA-UHFFFAOYSA-N
XLogP3.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.82
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861502
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 7352304
N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648706
2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 18122497
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
CID 17437726
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861158
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 60608065
5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole
CID 7856912
(2R)-3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-2-methylpropanenitrile
CID 8860060
N-[(3-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7661613

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole (CID 8859943) is 1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole is Cc1cccc(CSc2nnnn2-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole?
The InChIKey is PKIUZHHZMKLSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4S/c1-11-4-2-5-12(8-11)10-21-15-17-18-19-20(15)14-7-3-6-13(16)9-14/h2-9H,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole?
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole has a molecular weight of 316.82 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 8859943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).