(4-chlorophenyl) N-methylethanimidothioate

C9H10ClNS — CID 20641471

IUPAC(4-chlorophenyl) N-methylethanimidothioate
SMILESC/N=C(\C)Sc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNS/c1-7(11-2)12-9-5-3-8(10)4-6-9/h3-6H,1-2H3/b11-7+
InChIKeyFIGMFNDIQBVMTK-YRNVUSSQSA-N
MW199.71 g/mol
LogP3.48
Rot. Bonds1

About (4-chlorophenyl) N-methylethanimidothioate

(4-chlorophenyl) N-methylethanimidothioate (PubChem CID 20641471) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is (4-chlorophenyl) N-methylethanimidothioate.

Molecular Properties

Compound Name(4-chlorophenyl) N-methylethanimidothioate
PubChem CID20641471
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name(4-chlorophenyl) N-methylethanimidothioate
SMILESC/N=C(\C)Sc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNS/c1-7(11-2)12-9-5-3-8(10)4-6-9/h3-6H,1-2H3/b11-7+
InChIKeyFIGMFNDIQBVMTK-YRNVUSSQSA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Chloro-4-(isopropylsulfanyl)benzene
CID 5324157
Ethylamine, 2-((p-chlorophenyl)thio)-N,N-dimethyl-
CID 56155
2-(4-Chlorophenylthio)triethylamine
CID 26171
1-Chloro-4-(ethylthio)benzene
CID 5324154
1-(Butylsulfanyl)-4-chlorobenzene
CID 11019903
Benzene, 1-chloro-4-((1,1-dimethylethyl)thio)-
CID 11019904
1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene
CID 4962567
1-[(E)-but-2-enyl]sulfanyl-4-chlorobenzene
CID 15556018
p-Chlorophenyl propyl sulfide
CID 11389837
p-Chlorophenyl pentyl sulfide
CID 13937441
2-(p-Chlorophenylthio)-5,6-dihydro-4H-1,3-thiazine
CID 618063
1-(4-chlorophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride
CID 134917206

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-methylethanimidothioate?
The IUPAC name of (4-chlorophenyl) N-methylethanimidothioate (CID 20641471) is (4-chlorophenyl) N-methylethanimidothioate.
What is the SMILES notation for (4-chlorophenyl) N-methylethanimidothioate?
The canonical SMILES for (4-chlorophenyl) N-methylethanimidothioate is C/N=C(\C)Sc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) N-methylethanimidothioate?
The InChIKey is FIGMFNDIQBVMTK-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10ClNS/c1-7(11-2)12-9-5-3-8(10)4-6-9/h3-6H,1-2H3/b11-7+.
What are the key properties of (4-chlorophenyl) N-methylethanimidothioate?
(4-chlorophenyl) N-methylethanimidothioate has a molecular weight of 199.71 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-methylethanimidothioate is sourced from PubChem (CID 20641471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).