N-phenyl-N-thionitrosoaniline

C12H10N2S — CID 88846762

IUPACN-phenyl-N-thionitrosoaniline
SMILESS=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N2S/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyOQYPAYWIYCXNRY-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.47
Rot. Bonds3

About N-phenyl-N-thionitrosoaniline

N-phenyl-N-thionitrosoaniline (PubChem CID 88846762) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-phenyl-N-thionitrosoaniline.

Molecular Properties

Compound NameN-phenyl-N-thionitrosoaniline
PubChem CID88846762
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC NameN-phenyl-N-thionitrosoaniline
SMILESS=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N2S/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyOQYPAYWIYCXNRY-UHFFFAOYSA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenylaniline;silane
CID 131739129
N-[(Z)-2,2-diphenylethylideneamino]-N-phenylaniline
CID 6306927
N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline
CID 172940453
2-(diphenylhydrazinylidene)propanoic acid
CID 4737078
N-methanethioyl-N-phenylmethanethioamide
CID 57484015
N,N-diphenylaniline;ethene
CID 135186601
N,N-dimethylaniline
CID 70392672
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline
CID 70556050
N-[(Z)-(2-fluorophenyl)methylideneamino]-N-phenylaniline
CID 7921961
N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline
CID 91118877

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-thionitrosoaniline?
The IUPAC name of N-phenyl-N-thionitrosoaniline (CID 88846762) is N-phenyl-N-thionitrosoaniline.
What is the SMILES notation for N-phenyl-N-thionitrosoaniline?
The canonical SMILES for N-phenyl-N-thionitrosoaniline is S=NN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-thionitrosoaniline?
The InChIKey is OQYPAYWIYCXNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N-phenyl-N-thionitrosoaniline?
N-phenyl-N-thionitrosoaniline has a molecular weight of 214.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-thionitrosoaniline is sourced from PubChem (CID 88846762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).