3-chloro-2H-thiophene-5-thione

C4H3ClS2 — CID 86201715

IUPAC3-chloro-2H-thiophene-5-thione
SMILESS=C1C=C(Cl)CS1
InChIInChI=1S/C4H3ClS2/c5-3-1-4(6)7-2-3/h1H,2H2
InChIKeyGPRSEEKGQASMMA-UHFFFAOYSA-N
MW150.66 g/mol
LogP2.18
Rot. Bonds

About 3-chloro-2H-thiophene-5-thione

3-chloro-2H-thiophene-5-thione (PubChem CID 86201715) has the molecular formula C4H3ClS2 and a molecular weight of 150.66 g/mol. Its IUPAC name is 3-chloro-2H-thiophene-5-thione.

Molecular Properties

Compound Name3-chloro-2H-thiophene-5-thione
PubChem CID86201715
Molecular FormulaC4H3ClS2
Molecular Weight150.66 g/mol
Exact Mass149.94
IUPAC Name3-chloro-2H-thiophene-5-thione
SMILESS=C1C=C(Cl)CS1
InChIInChI=1S/C4H3ClS2/c5-3-1-4(6)7-2-3/h1H,2H2
InChIKeyGPRSEEKGQASMMA-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.66
LogP ≤ 52.18
H-Bond Donors ≤ 50
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 3-chloro-2H-thiophene-5-thione?
The IUPAC name of 3-chloro-2H-thiophene-5-thione (CID 86201715) is 3-chloro-2H-thiophene-5-thione.
What is the SMILES notation for 3-chloro-2H-thiophene-5-thione?
The canonical SMILES for 3-chloro-2H-thiophene-5-thione is S=C1C=C(Cl)CS1.
What is the InChIKey of 3-chloro-2H-thiophene-5-thione?
The InChIKey is GPRSEEKGQASMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClS2/c5-3-1-4(6)7-2-3/h1H,2H2.
What are the key properties of 3-chloro-2H-thiophene-5-thione?
3-chloro-2H-thiophene-5-thione has a molecular weight of 150.66 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2H-thiophene-5-thione is sourced from PubChem (CID 86201715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).