N-phenyl-N-sulfanylformamide

C7H7NOS — CID 56986752

IUPACN-phenyl-N-sulfanylformamide
SMILESO=CN(S)c1ccccc1
InChIInChI=1S/C7H7NOS/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H
InChIKeyMKVFHOIOVYQJHR-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.49
Rot. Bonds2

About N-phenyl-N-sulfanylformamide

N-phenyl-N-sulfanylformamide (PubChem CID 56986752) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is N-phenyl-N-sulfanylformamide.

Molecular Properties

Compound NameN-phenyl-N-sulfanylformamide
PubChem CID56986752
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC NameN-phenyl-N-sulfanylformamide
SMILESO=CN(S)c1ccccc1
InChIInChI=1S/C7H7NOS/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H
InChIKeyMKVFHOIOVYQJHR-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-phenyl-N-sulfanylformamide 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

N-cyclopropyl-N-phenylformamide
CID 87498563
N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide
CID 174646860
2-(N-aminoanilino)acetaldehyde
CID 57249994
N-(4-methylphenyl)-N-phenylformamide
CID 11063734
acetaldehyde;N,N-dimethylaniline
CID 158535205
N,N-bis(sulfanyl)aniline;hydrazine
CID 159490218
N-phenyl-N-propylformamide
CID 19362602
N-phenyl-N-sulfamoylformamide
CID 87718525
N-phenyl-N-(4-piperazin-1-ylphenyl)formamide
CID 57079014
N-(3,5-dimethylphenyl)-N-phenylformamide
CID 87250258
N-phenyl-N-pyridin-3-ylformamide
CID 54269993
N-(1H-indol-2-yl)-N-sulfanylformamide
CID 174581698

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-sulfanylformamide?
The IUPAC name of N-phenyl-N-sulfanylformamide (CID 56986752) is N-phenyl-N-sulfanylformamide.
What is the SMILES notation for N-phenyl-N-sulfanylformamide?
The canonical SMILES for N-phenyl-N-sulfanylformamide is O=CN(S)c1ccccc1.
What is the InChIKey of N-phenyl-N-sulfanylformamide?
The InChIKey is MKVFHOIOVYQJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H.
What are the key properties of N-phenyl-N-sulfanylformamide?
N-phenyl-N-sulfanylformamide has a molecular weight of 153.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-sulfanylformamide is sourced from PubChem (CID 56986752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).