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

C3H5NS3 — CID 150929551

IUPAC3-sulfanyl-2H-1,3-thiazole-4-thiol
SMILESSC1=CSCN1S
InChIInChI=1S/C3H5NS3/c5-3-1-7-2-4(3)6/h1,5-6H,2H2
InChIKeyLFSSTXZZGXSORR-UHFFFAOYSA-N
MW151.28 g/mol
LogP1.57
Rot. Bonds

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

3-sulfanyl-2H-1,3-thiazole-4-thiol (PubChem CID 150929551) has the molecular formula C3H5NS3 and a molecular weight of 151.28 g/mol. Its IUPAC name is 3-sulfanyl-2H-1,3-thiazole-4-thiol.

Molecular Properties

Compound Name3-sulfanyl-2H-1,3-thiazole-4-thiol
PubChem CID150929551
Molecular FormulaC3H5NS3
Molecular Weight151.28 g/mol
Exact Mass150.96
IUPAC Name3-sulfanyl-2H-1,3-thiazole-4-thiol
SMILESSC1=CSCN1S
InChIInChI=1S/C3H5NS3/c5-3-1-7-2-4(3)6/h1,5-6H,2H2
InChIKeyLFSSTXZZGXSORR-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-sulfanyl-2H-1,3-thiazole-4-thiol?
The IUPAC name of 3-sulfanyl-2H-1,3-thiazole-4-thiol (CID 150929551) is 3-sulfanyl-2H-1,3-thiazole-4-thiol.
What is the SMILES notation for 3-sulfanyl-2H-1,3-thiazole-4-thiol?
The canonical SMILES for 3-sulfanyl-2H-1,3-thiazole-4-thiol is SC1=CSCN1S.
What is the InChIKey of 3-sulfanyl-2H-1,3-thiazole-4-thiol?
The InChIKey is LFSSTXZZGXSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NS3/c5-3-1-7-2-4(3)6/h1,5-6H,2H2.
What are the key properties of 3-sulfanyl-2H-1,3-thiazole-4-thiol?
3-sulfanyl-2H-1,3-thiazole-4-thiol has a molecular weight of 151.28 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-2H-1,3-thiazole-4-thiol is sourced from PubChem (CID 150929551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).