3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol

C7H7ClS2 — CID 169454531

IUPAC3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol
SMILESSCC=Cc1ccsc1Cl
InChIInChI=1S/C7H7ClS2/c8-7-6(2-1-4-9)3-5-10-7/h1-3,5,9H,4H2
InChIKeyXBSHGGDMPGDFNR-UHFFFAOYSA-N
MW190.72 g/mol
LogP3.34
Rot. Bonds2

About 3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol

3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol (PubChem CID 169454531) has the molecular formula C7H7ClS2 and a molecular weight of 190.72 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol
PubChem CID169454531
Molecular FormulaC7H7ClS2
Molecular Weight190.72 g/mol
Exact Mass189.97
IUPAC Name3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol
SMILESSCC=Cc1ccsc1Cl
InChIInChI=1S/C7H7ClS2/c8-7-6(2-1-4-9)3-5-10-7/h1-3,5,9H,4H2
InChIKeyXBSHGGDMPGDFNR-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.72
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol?
The IUPAC name of 3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol (CID 169454531) is 3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol is SCC=Cc1ccsc1Cl.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol?
The InChIKey is XBSHGGDMPGDFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClS2/c8-7-6(2-1-4-9)3-5-10-7/h1-3,5,9H,4H2.
What are the key properties of 3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol?
3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol has a molecular weight of 190.72 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorothiophen-3-yl)prop-2-ene-1-thiol is sourced from PubChem (CID 169454531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).