3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid

C3H7N3OS2 — CID 154150161

IUPAC3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid
SMILESNN(N)C(=S)CC(=O)S
InChIInChI=1S/C3H7N3OS2/c4-6(5)2(8)1-3(7)9/h1,4-5H2,(H,7,9)
InChIKeyVTOWJWYXTMQLRP-UHFFFAOYSA-N
MW165.24 g/mol
LogP-0.79
Rot. Bonds2

About 3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid

3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid (PubChem CID 154150161) has the molecular formula C3H7N3OS2 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid.

Molecular Properties

Compound Name3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid
PubChem CID154150161
Molecular FormulaC3H7N3OS2
Molecular Weight165.24 g/mol
Exact Mass165.00
IUPAC Name3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid
SMILESNN(N)C(=S)CC(=O)S
InChIInChI=1S/C3H7N3OS2/c4-6(5)2(8)1-3(7)9/h1,4-5H2,(H,7,9)
InChIKeyVTOWJWYXTMQLRP-UHFFFAOYSA-N
XLogP-0.79
TPSA72.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid 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-(diaminoamino)-3-sulfanylidenepropanethioic S-acid?
The IUPAC name of 3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid (CID 154150161) is 3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid.
What is the SMILES notation for 3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid?
The canonical SMILES for 3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid is NN(N)C(=S)CC(=O)S.
What is the InChIKey of 3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid?
The InChIKey is VTOWJWYXTMQLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3OS2/c4-6(5)2(8)1-3(7)9/h1,4-5H2,(H,7,9).
What are the key properties of 3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid?
3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid has a molecular weight of 165.24 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminoamino)-3-sulfanylidenepropanethioic S-acid is sourced from PubChem (CID 154150161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).