4-sulfanyl-3H-1,3-thiazole-2-thione

C3H3NS3 — CID 4713153

IUPAC4-sulfanyl-3H-1,3-thiazole-2-thione
SMILESS=c1[nH]c(S)cs1
InChIInChI=1S/C3H3NS3/c5-2-1-7-3(6)4-2/h1,5H,(H,4,6)
InChIKeyKWBXQDNGHQLAMB-UHFFFAOYSA-N
MW149.27 g/mol
LogP2.09
Rot. Bonds

About 4-sulfanyl-3H-1,3-thiazole-2-thione

4-sulfanyl-3H-1,3-thiazole-2-thione (PubChem CID 4713153) has the molecular formula C3H3NS3 and a molecular weight of 149.27 g/mol. Its IUPAC name is 4-sulfanyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-sulfanyl-3H-1,3-thiazole-2-thione
PubChem CID4713153
Molecular FormulaC3H3NS3
Molecular Weight149.27 g/mol
Exact Mass148.94
IUPAC Name4-sulfanyl-3H-1,3-thiazole-2-thione
SMILESS=c1[nH]c(S)cs1
InChIInChI=1S/C3H3NS3/c5-2-1-7-3(6)4-2/h1,5H,(H,4,6)
InChIKeyKWBXQDNGHQLAMB-UHFFFAOYSA-N
XLogP2.09
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3H-1,3-thiazole-2-thione
CID 67482132
4-bromo-3H-1,3-thiazole-2-thione
CID 20215750
4-chloro-3H-1,3-thiazole-2-thione
CID 21312418
molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione
CID 162006212
disodium;hydride;4-sulfanyl-3H-1,3-thiazole-2-thione
CID 175541997

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-sulfanyl-3H-1,3-thiazole-2-thione (CID 4713153) is 4-sulfanyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-sulfanyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-sulfanyl-3H-1,3-thiazole-2-thione is S=c1[nH]c(S)cs1.
What is the InChIKey of 4-sulfanyl-3H-1,3-thiazole-2-thione?
The InChIKey is KWBXQDNGHQLAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS3/c5-2-1-7-3(6)4-2/h1,5H,(H,4,6).
What are the key properties of 4-sulfanyl-3H-1,3-thiazole-2-thione?
4-sulfanyl-3H-1,3-thiazole-2-thione has a molecular weight of 149.27 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 4713153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).