3-methyl-2H-1,3-thiazole-2-thiol

C4H7NS2 — CID 19005810

IUPAC3-methyl-2H-1,3-thiazole-2-thiol
SMILESCN1C=CSC1S
InChIInChI=1S/C4H7NS2/c1-5-2-3-7-4(5)6/h2-4,6H,1H3
InChIKeyFBCUAVRDSLTFMF-UHFFFAOYSA-N
MW133.24 g/mol
LogP1.35
Rot. Bonds

About 3-methyl-2H-1,3-thiazole-2-thiol

3-methyl-2H-1,3-thiazole-2-thiol (PubChem CID 19005810) has the molecular formula C4H7NS2 and a molecular weight of 133.24 g/mol. Its IUPAC name is 3-methyl-2H-1,3-thiazole-2-thiol.

Molecular Properties

Compound Name3-methyl-2H-1,3-thiazole-2-thiol
PubChem CID19005810
Molecular FormulaC4H7NS2
Molecular Weight133.24 g/mol
Exact Mass133.00
IUPAC Name3-methyl-2H-1,3-thiazole-2-thiol
SMILESCN1C=CSC1S
InChIInChI=1S/C4H7NS2/c1-5-2-3-7-4(5)6/h2-4,6H,1H3
InChIKeyFBCUAVRDSLTFMF-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-1,3-thiazole-2-thiol?
The IUPAC name of 3-methyl-2H-1,3-thiazole-2-thiol (CID 19005810) is 3-methyl-2H-1,3-thiazole-2-thiol.
What is the SMILES notation for 3-methyl-2H-1,3-thiazole-2-thiol?
The canonical SMILES for 3-methyl-2H-1,3-thiazole-2-thiol is CN1C=CSC1S.
What is the InChIKey of 3-methyl-2H-1,3-thiazole-2-thiol?
The InChIKey is FBCUAVRDSLTFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS2/c1-5-2-3-7-4(5)6/h2-4,6H,1H3.
What are the key properties of 3-methyl-2H-1,3-thiazole-2-thiol?
3-methyl-2H-1,3-thiazole-2-thiol has a molecular weight of 133.24 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-1,3-thiazole-2-thiol is sourced from PubChem (CID 19005810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).