5-methyl-3H-1,3-thiazole-2-thione

C4H5NS2 — CID 12944851

IUPAC5-methyl-3H-1,3-thiazole-2-thione
SMILESCc1c[nH]c(=S)s1
InChIInChI=1S/C4H5NS2/c1-3-2-5-4(6)7-3/h2H,1H3,(H,5,6)
InChIKeyDDTHRRVQSOEMNQ-UHFFFAOYSA-N
MW131.22 g/mol
LogP2.11
Rot. Bonds

About 5-methyl-3H-1,3-thiazole-2-thione

5-methyl-3H-1,3-thiazole-2-thione (PubChem CID 12944851) has the molecular formula C4H5NS2 and a molecular weight of 131.22 g/mol. Its IUPAC name is 5-methyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-methyl-3H-1,3-thiazole-2-thione
PubChem CID12944851
Molecular FormulaC4H5NS2
Molecular Weight131.22 g/mol
Exact Mass130.99
IUPAC Name5-methyl-3H-1,3-thiazole-2-thione
SMILESCc1c[nH]c(=S)s1
InChIInChI=1S/C4H5NS2/c1-3-2-5-4(6)7-3/h2H,1H3,(H,5,6)
InChIKeyDDTHRRVQSOEMNQ-UHFFFAOYSA-N
XLogP2.11
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-methyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-methyl-3H-1,3-thiazole-2-thione (CID 12944851) is 5-methyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-methyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-methyl-3H-1,3-thiazole-2-thione is Cc1c[nH]c(=S)s1.
What is the InChIKey of 5-methyl-3H-1,3-thiazole-2-thione?
The InChIKey is DDTHRRVQSOEMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS2/c1-3-2-5-4(6)7-3/h2H,1H3,(H,5,6).
What are the key properties of 5-methyl-3H-1,3-thiazole-2-thione?
5-methyl-3H-1,3-thiazole-2-thione has a molecular weight of 131.22 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 12944851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).