2-(3-methylthiophen-2-yl)ethanethiol

C7H10S2 — CID 55274895

IUPAC2-(3-methylthiophen-2-yl)ethanethiol
SMILESCc1ccsc1CCS
InChIInChI=1S/C7H10S2/c1-6-3-5-9-7(6)2-4-8/h3,5,8H,2,4H2,1H3
InChIKeyLPFGODIUMKXURI-UHFFFAOYSA-N
MW158.29 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-methylthiophen-2-yl)ethanethiol

2-(3-methylthiophen-2-yl)ethanethiol (PubChem CID 55274895) has the molecular formula C7H10S2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)ethanethiol
PubChem CID55274895
Molecular FormulaC7H10S2
Molecular Weight158.29 g/mol
Exact Mass158.02
IUPAC Name2-(3-methylthiophen-2-yl)ethanethiol
SMILESCc1ccsc1CCS
InChIInChI=1S/C7H10S2/c1-6-3-5-9-7(6)2-4-8/h3,5,8H,2,4H2,1H3
InChIKeyLPFGODIUMKXURI-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 52.53
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

3-[2-(3-methylthiophen-2-yl)ethylamino]propane-1-thiol
CID 115225201
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
2-(3-bromopropyl)-3-methylthiophene
CID 19688419
2-hexyl-3-methylthiophene
CID 69043695
2-(bromomethyl)-3-methylthiophene
CID 18463526
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
2-methyl-3-(3-methylthiophen-2-yl)propane-1-thiol
CID 83929103
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
CID 172777676
CID 172777676
1-(3-methylthiophen-2-yl)heptan-4-one
CID 83929160
2-[2-(3-methylthiophen-2-yl)ethoxy]ethanamine
CID 65305403
methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
CID 117043598

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)ethanethiol?
The IUPAC name of 2-(3-methylthiophen-2-yl)ethanethiol (CID 55274895) is 2-(3-methylthiophen-2-yl)ethanethiol.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)ethanethiol?
The canonical SMILES for 2-(3-methylthiophen-2-yl)ethanethiol is Cc1ccsc1CCS.
What is the InChIKey of 2-(3-methylthiophen-2-yl)ethanethiol?
The InChIKey is LPFGODIUMKXURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S2/c1-6-3-5-9-7(6)2-4-8/h3,5,8H,2,4H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)ethanethiol?
2-(3-methylthiophen-2-yl)ethanethiol has a molecular weight of 158.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)ethanethiol is sourced from PubChem (CID 55274895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).