2-chloro-4-methoxy-N-methylbenzenecarbothioamide

C9H10ClNOS — CID 116827702

IUPAC2-chloro-4-methoxy-N-methylbenzenecarbothioamide
SMILESCNC(=S)c1ccc(OC)cc1Cl
InChIInChI=1S/C9H10ClNOS/c1-11-9(13)7-4-3-6(12-2)5-8(7)10/h3-5H,1-2H3,(H,11,13)
InChIKeyUPOGKQULTCEJSZ-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.24
Rot. Bonds2

About 2-chloro-4-methoxy-N-methylbenzenecarbothioamide

2-chloro-4-methoxy-N-methylbenzenecarbothioamide (PubChem CID 116827702) has the molecular formula C9H10ClNOS and a molecular weight of 215.71 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-methylbenzenecarbothioamide
PubChem CID116827702
Molecular FormulaC9H10ClNOS
Molecular Weight215.71 g/mol
Exact Mass215.02
IUPAC Name2-chloro-4-methoxy-N-methylbenzenecarbothioamide
SMILESCNC(=S)c1ccc(OC)cc1Cl
InChIInChI=1S/C9H10ClNOS/c1-11-9(13)7-4-3-6(12-2)5-8(7)10/h3-5H,1-2H3,(H,11,13)
InChIKeyUPOGKQULTCEJSZ-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-methoxy-N-methylbenzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918735
1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
CID 95447653
4-(4-carbamothioyl-3-chlorophenoxy)-N-methylbutanamide
CID 102724280
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580
(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961334
(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
CID 65018637
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 82783216
2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
methyl 2-chloro-4-methoxybenzenecarboximidothioate
CID 116827909

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-methylbenzenecarbothioamide?
The IUPAC name of 2-chloro-4-methoxy-N-methylbenzenecarbothioamide (CID 116827702) is 2-chloro-4-methoxy-N-methylbenzenecarbothioamide.
What is the SMILES notation for 2-chloro-4-methoxy-N-methylbenzenecarbothioamide?
The canonical SMILES for 2-chloro-4-methoxy-N-methylbenzenecarbothioamide is CNC(=S)c1ccc(OC)cc1Cl.
What is the InChIKey of 2-chloro-4-methoxy-N-methylbenzenecarbothioamide?
The InChIKey is UPOGKQULTCEJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-11-9(13)7-4-3-6(12-2)5-8(7)10/h3-5H,1-2H3,(H,11,13).
What are the key properties of 2-chloro-4-methoxy-N-methylbenzenecarbothioamide?
2-chloro-4-methoxy-N-methylbenzenecarbothioamide has a molecular weight of 215.71 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-N-methylbenzenecarbothioamide is sourced from PubChem (CID 116827702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).