3-chloro-6-methyl-2-sulfanylbenzamide

C8H8ClNOS — CID 174522817

IUPAC3-chloro-6-methyl-2-sulfanylbenzamide
SMILESCc1ccc(Cl)c(S)c1C(N)=O
InChIInChI=1S/C8H8ClNOS/c1-4-2-3-5(9)7(12)6(4)8(10)11/h2-3,12H,1H3,(H2,10,11)
InChIKeyCAZPECQMVLMXDF-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.04
Rot. Bonds1

About 3-chloro-6-methyl-2-sulfanylbenzamide

3-chloro-6-methyl-2-sulfanylbenzamide (PubChem CID 174522817) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is 3-chloro-6-methyl-2-sulfanylbenzamide.

Molecular Properties

Compound Name3-chloro-6-methyl-2-sulfanylbenzamide
PubChem CID174522817
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name3-chloro-6-methyl-2-sulfanylbenzamide
SMILESCc1ccc(Cl)c(S)c1C(N)=O
InChIInChI=1S/C8H8ClNOS/c1-4-2-3-5(9)7(12)6(4)8(10)11/h2-3,12H,1H3,(H2,10,11)
InChIKeyCAZPECQMVLMXDF-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-iodo-6-methylbenzamide
CID 171003854
6-chloro-2-iodo-3-methylbenzamide
CID 171003803
2-hydroxy-3,6-dimethylbenzamide
CID 82266966
2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578
3-chloro-4-methylbenzamide;ethane
CID 162191867
bis(6-chloro-2,3-dimethylphenyl)methanone
CID 139698463
tert-butyl 3-chloro-2,6-dimethylbenzoate
CID 170757058
3-chloro-2-methyl-6-nitrobenzamide
CID 131072971
4-chloro-2-fluoro-3-methylbenzamide
CID 83385455
2-bromo-3-iodo-6-methylbenzamide
CID 171033336
2,3-diethyl-6-methylbenzamide
CID 174760493

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-2-sulfanylbenzamide?
The IUPAC name of 3-chloro-6-methyl-2-sulfanylbenzamide (CID 174522817) is 3-chloro-6-methyl-2-sulfanylbenzamide.
What is the SMILES notation for 3-chloro-6-methyl-2-sulfanylbenzamide?
The canonical SMILES for 3-chloro-6-methyl-2-sulfanylbenzamide is Cc1ccc(Cl)c(S)c1C(N)=O.
What is the InChIKey of 3-chloro-6-methyl-2-sulfanylbenzamide?
The InChIKey is CAZPECQMVLMXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c1-4-2-3-5(9)7(12)6(4)8(10)11/h2-3,12H,1H3,(H2,10,11).
What are the key properties of 3-chloro-6-methyl-2-sulfanylbenzamide?
3-chloro-6-methyl-2-sulfanylbenzamide has a molecular weight of 201.68 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-2-sulfanylbenzamide is sourced from PubChem (CID 174522817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).