N-[(4-chlorophenyl)methyl]methanethioamide

C8H8ClNS — CID 58279664

IUPACN-[(4-chlorophenyl)methyl]methanethioamide
SMILESS=CNCc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4,6H,5H2,(H,10,11)
InChIKeyJZKRHWIGAONMJD-UHFFFAOYSA-N
MW185.68 g/mol
LogP2.39
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]methanethioamide

N-[(4-chlorophenyl)methyl]methanethioamide (PubChem CID 58279664) has the molecular formula C8H8ClNS and a molecular weight of 185.68 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]methanethioamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]methanethioamide
PubChem CID58279664
Molecular FormulaC8H8ClNS
Molecular Weight185.68 g/mol
Exact Mass185.01
IUPAC NameN-[(4-chlorophenyl)methyl]methanethioamide
SMILESS=CNCc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4,6H,5H2,(H,10,11)
InChIKeyJZKRHWIGAONMJD-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-chlorophenyl)methyl]ethanedithioamide
CID 3033254
N-[(3-chlorophenyl)methyl]methanethioamide
CID 58279687
1,2-bis[(4-chlorophenyl)methyl]hydrazine;dihydrochloride
CID 20519808
N-[(4-chlorophenyl)methyl]thiohydroxylamine
CID 142862441
1-(4-chlorophenyl)-N-oxidomethanamine
CID 162516250
(4-chlorophenyl)methylhydrazine;hydrochloride
CID 3058470
(E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine
CID 107899645
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine
CID 143489963
N"-[(4-chlorophenyl)methyl]methanetriamine
CID 143471410
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]methanethioamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]methanethioamide (CID 58279664) is N-[(4-chlorophenyl)methyl]methanethioamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]methanethioamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]methanethioamide is S=CNCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]methanethioamide?
The InChIKey is JZKRHWIGAONMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4,6H,5H2,(H,10,11).
What are the key properties of N-[(4-chlorophenyl)methyl]methanethioamide?
N-[(4-chlorophenyl)methyl]methanethioamide has a molecular weight of 185.68 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]methanethioamide is sourced from PubChem (CID 58279664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).