2-(benzenecarboximidoyl)benzenecarbothioamide

C14H12N2S — CID 87473973

IUPAC2-(benzenecarboximidoyl)benzenecarbothioamide
SMILES[H]/N=C(\c1ccccc1)c1ccccc1C(N)=S
InChIInChI=1S/C14H12N2S/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,15H,(H2,16,17)/b15-13+
InChIKeyWJWWJPRDHZEEAN-FYWRMAATSA-N
MW240.33 g/mol
LogP2.74
Rot. Bonds3

About 2-(benzenecarboximidoyl)benzenecarbothioamide

2-(benzenecarboximidoyl)benzenecarbothioamide (PubChem CID 87473973) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(benzenecarboximidoyl)benzenecarbothioamide.

Molecular Properties

Compound Name2-(benzenecarboximidoyl)benzenecarbothioamide
PubChem CID87473973
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-(benzenecarboximidoyl)benzenecarbothioamide
SMILES[H]/N=C(\c1ccccc1)c1ccccc1C(N)=S
InChIInChI=1S/C14H12N2S/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,15H,(H2,16,17)/b15-13+
InChIKeyWJWWJPRDHZEEAN-FYWRMAATSA-N
XLogP2.74
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethynylbenzenecarboximidoyl)benzenecarboximidamide
CID 170026247
2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine
CID 139968797
[2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate
CID 146420860
benzenecarboximidamide;sulfane
CID 172701796
2-(4-fluorobenzenecarboximidoyl)aniline
CID 86616565
2-formylbenzenecarbothioamide
CID 23021460
[2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine
CID 10515193
benzenecarboximidamide;hydron;chloride
CID 66824376
[4-[4-(benzenecarboximidoyl)phenoxy]phenyl]-phenylmethanimine
CID 102210990
2-chlorobenzenecarbothioamide
CID 139147259
(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine
CID 135008766

Frequently Asked Questions

What is the IUPAC name of 2-(benzenecarboximidoyl)benzenecarbothioamide?
The IUPAC name of 2-(benzenecarboximidoyl)benzenecarbothioamide (CID 87473973) is 2-(benzenecarboximidoyl)benzenecarbothioamide.
What is the SMILES notation for 2-(benzenecarboximidoyl)benzenecarbothioamide?
The canonical SMILES for 2-(benzenecarboximidoyl)benzenecarbothioamide is [H]/N=C(\c1ccccc1)c1ccccc1C(N)=S.
What is the InChIKey of 2-(benzenecarboximidoyl)benzenecarbothioamide?
The InChIKey is WJWWJPRDHZEEAN-FYWRMAATSA-N. The full InChI is InChI=1S/C14H12N2S/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,15H,(H2,16,17)/b15-13+.
What are the key properties of 2-(benzenecarboximidoyl)benzenecarbothioamide?
2-(benzenecarboximidoyl)benzenecarbothioamide has a molecular weight of 240.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenecarboximidoyl)benzenecarbothioamide is sourced from PubChem (CID 87473973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).