2-(5-chlorothiophen-2-yl)ethanethiol

C6H7ClS2 — CID 55275169

IUPAC2-(5-chlorothiophen-2-yl)ethanethiol
SMILESSCCc1ccc(Cl)s1
InChIInChI=1S/C6H7ClS2/c7-6-2-1-5(9-6)3-4-8/h1-2,8H,3-4H2
InChIKeyTUUXRRGJCGYNAR-UHFFFAOYSA-N
MW178.71 g/mol
LogP2.87
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)ethanethiol

2-(5-chlorothiophen-2-yl)ethanethiol (PubChem CID 55275169) has the molecular formula C6H7ClS2 and a molecular weight of 178.71 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)ethanethiol
PubChem CID55275169
Molecular FormulaC6H7ClS2
Molecular Weight178.71 g/mol
Exact Mass177.97
IUPAC Name2-(5-chlorothiophen-2-yl)ethanethiol
SMILESSCCc1ccc(Cl)s1
InChIInChI=1S/C6H7ClS2/c7-6-2-1-5(9-6)3-4-8/h1-2,8H,3-4H2
InChIKeyTUUXRRGJCGYNAR-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylthiophen-2-yl)ethanethiol
CID 55274892
N'-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylmethanediamine
CID 115226192
2-(5-chlorothiophen-2-yl)ethanesulfinamide
CID 143307384
4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol
CID 82126271
4-(5-chlorothiophen-2-yl)butanenitrile
CID 82075240
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
2-chloro-5-(4-chloro-3-methylbutyl)thiophene
CID 64665256
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
5-(5-chlorothiophen-2-yl)pentan-2-one
CID 64522683
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)ethanethiol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)ethanethiol (CID 55275169) is 2-(5-chlorothiophen-2-yl)ethanethiol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)ethanethiol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)ethanethiol is SCCc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)ethanethiol?
The InChIKey is TUUXRRGJCGYNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClS2/c7-6-2-1-5(9-6)3-4-8/h1-2,8H,3-4H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)ethanethiol?
2-(5-chlorothiophen-2-yl)ethanethiol has a molecular weight of 178.71 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)ethanethiol is sourced from PubChem (CID 55275169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).