2-amino-1,3-thiazole-4-thione

C3H4N2S2 — CID 4264450

IUPAC2-amino-1,3-thiazole-4-thione
SMILESNC1=NC(=S)CS1
InChIInChI=1S/C3H4N2S2/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)
InChIKeyRZWGXUSODBKMDS-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.38
Rot. Bonds

About 2-amino-1,3-thiazole-4-thione

2-amino-1,3-thiazole-4-thione (PubChem CID 4264450) has the molecular formula C3H4N2S2 and a molecular weight of 132.21 g/mol. Its IUPAC name is 2-amino-1,3-thiazole-4-thione.

Molecular Properties

Compound Name2-amino-1,3-thiazole-4-thione
PubChem CID4264450
Molecular FormulaC3H4N2S2
Molecular Weight132.21 g/mol
Exact Mass131.98
IUPAC Name2-amino-1,3-thiazole-4-thione
SMILESNC1=NC(=S)CS1
InChIInChI=1S/C3H4N2S2/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)
InChIKeyRZWGXUSODBKMDS-UHFFFAOYSA-N
XLogP0.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazole-4-thione?
The IUPAC name of 2-amino-1,3-thiazole-4-thione (CID 4264450) is 2-amino-1,3-thiazole-4-thione.
What is the SMILES notation for 2-amino-1,3-thiazole-4-thione?
The canonical SMILES for 2-amino-1,3-thiazole-4-thione is NC1=NC(=S)CS1.
What is the InChIKey of 2-amino-1,3-thiazole-4-thione?
The InChIKey is RZWGXUSODBKMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S2/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6).
What are the key properties of 2-amino-1,3-thiazole-4-thione?
2-amino-1,3-thiazole-4-thione has a molecular weight of 132.21 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazole-4-thione is sourced from PubChem (CID 4264450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).