N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide

C10H12N2S2 — CID 10585263

IUPACN-[bis(methylsulfanyl)methylidene]benzenecarboximidamide
SMILES[H]/N=C(\N=C(SC)SC)c1ccccc1
InChIInChI=1S/C10H12N2S2/c1-13-10(14-2)12-9(11)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b11-9-
InChIKeyQUVBPQIRQCCZFT-LUAWRHEFSA-N
MW224.35 g/mol
LogP3.09
Rot. Bonds1

About N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide

N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide (PubChem CID 10585263) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[bis(methylsulfanyl)methylidene]benzenecarboximidamide
PubChem CID10585263
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC NameN-[bis(methylsulfanyl)methylidene]benzenecarboximidamide
SMILES[H]/N=C(\N=C(SC)SC)c1ccccc1
InChIInChI=1S/C10H12N2S2/c1-13-10(14-2)12-9(11)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b11-9-
InChIKeyQUVBPQIRQCCZFT-LUAWRHEFSA-N
XLogP3.09
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Benzamidine, hydrochloride
CID 80289
Benzamidine
CID 2332
4-Methylbenzene-1-carboximidamide hydrochloride
CID 122753
3-Phenyl-1,2,4-thiadiazole-5-thiol
CID 2795839
Benzamidinium chloride
CID 444655
N'-Cyanobenzenecarboximidamide
CID 270782
4-Toluamidine
CID 122754
2-Methyl-benzamidine
CID 576480
3-Methylbenzene-1-carboximidamide hydrochloride
CID 2800701
N-methylbenzenecarboximidamide hydrochloride
CID 12375797
Amino(phenyl)methaniminium chloride
CID 10898949
N-Methylbenzamidine
CID 169564

Frequently Asked Questions

What is the IUPAC name of N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide?
The IUPAC name of N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide (CID 10585263) is N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide.
What is the SMILES notation for N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide?
The canonical SMILES for N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide is [H]/N=C(\N=C(SC)SC)c1ccccc1.
What is the InChIKey of N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide?
The InChIKey is QUVBPQIRQCCZFT-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-13-10(14-2)12-9(11)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b11-9-.
What are the key properties of N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide?
N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide has a molecular weight of 224.35 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(methylsulfanyl)methylidene]benzenecarboximidamide is sourced from PubChem (CID 10585263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).