methyl N-(4-chloro-2-methylphenyl)ethanimidothioate

C10H12ClNS — CID 163694304

IUPACmethyl N-(4-chloro-2-methylphenyl)ethanimidothioate
SMILESCS/C(C)=N/c1ccc(Cl)cc1C
InChIInChI=1S/C10H12ClNS/c1-7-6-9(11)4-5-10(7)12-8(2)13-3/h4-6H,1-3H3/b12-8+
InChIKeyJVPKZSXPKIHTNV-XYOKQWHBSA-N
MW213.73 g/mol
LogP4.06
Rot. Bonds1

About methyl N-(4-chloro-2-methylphenyl)ethanimidothioate

methyl N-(4-chloro-2-methylphenyl)ethanimidothioate (PubChem CID 163694304) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is methyl N-(4-chloro-2-methylphenyl)ethanimidothioate.

Molecular Properties

Compound Namemethyl N-(4-chloro-2-methylphenyl)ethanimidothioate
PubChem CID163694304
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Namemethyl N-(4-chloro-2-methylphenyl)ethanimidothioate
SMILESCS/C(C)=N/c1ccc(Cl)cc1C
InChIInChI=1S/C10H12ClNS/c1-7-6-9(11)4-5-10(7)12-8(2)13-3/h4-6H,1-3H3/b12-8+
InChIKeyJVPKZSXPKIHTNV-XYOKQWHBSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 54.06
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

N-(4-chloro-2-methylphenyl)butan-2-imine
CID 138749574
N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide
CID 114256582
methyl 2-(4-chloro-2-methylphenyl)imino-5,5-dimethyl-4-oxohexanoate
CID 91150342
N-(4-chloro-2-methylphenyl)-4-methyl-1,3-dithiol-2-imine;hydrochloride
CID 21433368
N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide
CID 71436952
(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine
CID 22256023
acetyl chloride;4-chloro-1,2-dimethylbenzene
CID 174808009
4-chloro-N-(4-chloro-2-methylphenyl)dithiazol-5-imine
CID 1471255
5-(4-chloro-2-methylphenyl)iminofuran-2-one
CID 12512017
(Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine
CID 143957577
N-(4-chloro-2-methylphenyl)-5-methyl-5H-1,3-thiazol-2-imine
CID 70608102
N'-(2,5-dichlorophenyl)ethanimidamide
CID 63173337

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-chloro-2-methylphenyl)ethanimidothioate?
The IUPAC name of methyl N-(4-chloro-2-methylphenyl)ethanimidothioate (CID 163694304) is methyl N-(4-chloro-2-methylphenyl)ethanimidothioate.
What is the SMILES notation for methyl N-(4-chloro-2-methylphenyl)ethanimidothioate?
The canonical SMILES for methyl N-(4-chloro-2-methylphenyl)ethanimidothioate is CS/C(C)=N/c1ccc(Cl)cc1C.
What is the InChIKey of methyl N-(4-chloro-2-methylphenyl)ethanimidothioate?
The InChIKey is JVPKZSXPKIHTNV-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H12ClNS/c1-7-6-9(11)4-5-10(7)12-8(2)13-3/h4-6H,1-3H3/b12-8+.
What are the key properties of methyl N-(4-chloro-2-methylphenyl)ethanimidothioate?
methyl N-(4-chloro-2-methylphenyl)ethanimidothioate has a molecular weight of 213.73 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chloro-2-methylphenyl)ethanimidothioate is sourced from PubChem (CID 163694304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).