3-amino-5-(methylamino)benzenethiol

C7H10N2S — CID 142297583

IUPAC3-amino-5-(methylamino)benzenethiol
SMILESCNc1cc(N)cc(S)c1
InChIInChI=1S/C7H10N2S/c1-9-6-2-5(8)3-7(10)4-6/h2-4,9-10H,8H2,1H3
InChIKeyJUWNMTNUNSXXRO-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.60
Rot. Bonds1

About 3-amino-5-(methylamino)benzenethiol

3-amino-5-(methylamino)benzenethiol (PubChem CID 142297583) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 3-amino-5-(methylamino)benzenethiol.

Molecular Properties

Compound Name3-amino-5-(methylamino)benzenethiol
PubChem CID142297583
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name3-amino-5-(methylamino)benzenethiol
SMILESCNc1cc(N)cc(S)c1
InChIInChI=1S/C7H10N2S/c1-9-6-2-5(8)3-7(10)4-6/h2-4,9-10H,8H2,1H3
InChIKeyJUWNMTNUNSXXRO-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-(methylamino)benzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(methylamino)benzenethiol?
The IUPAC name of 3-amino-5-(methylamino)benzenethiol (CID 142297583) is 3-amino-5-(methylamino)benzenethiol.
What is the SMILES notation for 3-amino-5-(methylamino)benzenethiol?
The canonical SMILES for 3-amino-5-(methylamino)benzenethiol is CNc1cc(N)cc(S)c1.
What is the InChIKey of 3-amino-5-(methylamino)benzenethiol?
The InChIKey is JUWNMTNUNSXXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-9-6-2-5(8)3-7(10)4-6/h2-4,9-10H,8H2,1H3.
What are the key properties of 3-amino-5-(methylamino)benzenethiol?
3-amino-5-(methylamino)benzenethiol has a molecular weight of 154.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(methylamino)benzenethiol is sourced from PubChem (CID 142297583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).