2-N-sulfidobenzene-1,2-diamine

C6H7N2S- — CID 171097854

IUPAC2-N-sulfidobenzene-1,2-diamine
SMILESNc1ccccc1N[S-]
InChIInChI=1S/C6H7N2S/c7-5-3-1-2-4-6(5)8-9/h1-4,8H,7H2/q-1
InChIKeyTZXGELATAIZSOH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.14
Rot. Bonds1

About 2-N-sulfidobenzene-1,2-diamine

2-N-sulfidobenzene-1,2-diamine (PubChem CID 171097854) has the molecular formula C6H7N2S- and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-N-sulfidobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-sulfidobenzene-1,2-diamine
PubChem CID171097854
Molecular FormulaC6H7N2S-
Molecular Weight139.20 g/mol
Exact Mass139.03
IUPAC Name2-N-sulfidobenzene-1,2-diamine
SMILESNc1ccccc1N[S-]
InChIInChI=1S/C6H7N2S/c7-5-3-1-2-4-6(5)8-9/h1-4,8H,7H2/q-1
InChIKeyTZXGELATAIZSOH-UHFFFAOYSA-N
XLogP1.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 2-N-sulfidobenzene-1,2-diamine 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

methane;2-N-phosphanylbenzene-1,2-diamine
CID 143707966
2-N-iodobenzene-1,2-diamine;sulfane
CID 175939526
ethane;2-N-methylbenzene-1,2-diamine
CID 91146948
ethane;2-hydrazinylaniline;molecular hydrogen
CID 142165021
2-N-tert-butylbenzene-1,2-diamine;hydrochloride
CID 91654382
2-N-dimethylphosphanylbenzene-1,2-diamine;ethane
CID 143333934
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194
2-(2-aminoanilino)ethanethiol
CID 10773435
benzene-1,2-diamine;N-methylmethanamine
CID 174458514
bis(2-N-methylbenzene-1,2-diamine);sulfuric acid
CID 157216525

Frequently Asked Questions

What is the IUPAC name of 2-N-sulfidobenzene-1,2-diamine?
The IUPAC name of 2-N-sulfidobenzene-1,2-diamine (CID 171097854) is 2-N-sulfidobenzene-1,2-diamine.
What is the SMILES notation for 2-N-sulfidobenzene-1,2-diamine?
The canonical SMILES for 2-N-sulfidobenzene-1,2-diamine is Nc1ccccc1N[S-].
What is the InChIKey of 2-N-sulfidobenzene-1,2-diamine?
The InChIKey is TZXGELATAIZSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2S/c7-5-3-1-2-4-6(5)8-9/h1-4,8H,7H2/q-1.
What are the key properties of 2-N-sulfidobenzene-1,2-diamine?
2-N-sulfidobenzene-1,2-diamine has a molecular weight of 139.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-sulfidobenzene-1,2-diamine is sourced from PubChem (CID 171097854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).