N-methanethioyl-N-phenylmethanethioamide

C8H7NS2 — CID 57484015

IUPACN-methanethioyl-N-phenylmethanethioamide
SMILESS=CN(C=S)c1ccccc1
InChIInChI=1S/C8H7NS2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7H
InChIKeyUKHXCZCUPPNHCL-UHFFFAOYSA-N
MW181.29 g/mol
LogP2.41
Rot. Bonds3

About N-methanethioyl-N-phenylmethanethioamide

N-methanethioyl-N-phenylmethanethioamide (PubChem CID 57484015) has the molecular formula C8H7NS2 and a molecular weight of 181.29 g/mol. Its IUPAC name is N-methanethioyl-N-phenylmethanethioamide.

Molecular Properties

Compound NameN-methanethioyl-N-phenylmethanethioamide
PubChem CID57484015
Molecular FormulaC8H7NS2
Molecular Weight181.29 g/mol
Exact Mass181.00
IUPAC NameN-methanethioyl-N-phenylmethanethioamide
SMILESS=CN(C=S)c1ccccc1
InChIInChI=1S/C8H7NS2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7H
InChIKeyUKHXCZCUPPNHCL-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanethioyl(phenyl)carbamic acid
CID 87719444
(N-(2,2-diphenylhydrazinyl)anilino)benzene
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N-ethenyl-N-(2-methylprop-1-enyl)aniline
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N-phenyl-N-thionitrosoaniline
CID 88846762
azane;N,N-diphenylaniline;methane
CID 174725062
acetylene;N,N-diphenylaniline
CID 162160270
N,N-dimethylaniline
CID 70392672
N,N-diphenylaniline;ethene
CID 135186601
dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide
CID 10972017
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229

Frequently Asked Questions

What is the IUPAC name of N-methanethioyl-N-phenylmethanethioamide?
The IUPAC name of N-methanethioyl-N-phenylmethanethioamide (CID 57484015) is N-methanethioyl-N-phenylmethanethioamide.
What is the SMILES notation for N-methanethioyl-N-phenylmethanethioamide?
The canonical SMILES for N-methanethioyl-N-phenylmethanethioamide is S=CN(C=S)c1ccccc1.
What is the InChIKey of N-methanethioyl-N-phenylmethanethioamide?
The InChIKey is UKHXCZCUPPNHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7H.
What are the key properties of N-methanethioyl-N-phenylmethanethioamide?
N-methanethioyl-N-phenylmethanethioamide has a molecular weight of 181.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanethioyl-N-phenylmethanethioamide is sourced from PubChem (CID 57484015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).