Chemical Properties of 2-Thiophenemethanethiol (CAS 6258-63-5)

InChI

InChI=1S/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2

InChI Key

GCZQHDFWKVMZOE-UHFFFAOYSA-N

Formula

C5H6S2

SMILES

SCc1cccs1

Molecular Weight¹

130.23

CAS

6258-63-5

Other Names

• Thenyl mercaptan
• 2-Thienylmethanethiol
• 2-Thenyl mercaptan
• Thiophene-2-methanethiol
• 2-Thiophenemethenethiol

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.18		Crippen Calculated Property
logPoct/wat	2.178		Crippen Calculated Property
McVol	94.550	ml/mol	McGowan Calculated Property
Inp	[1064.00; 1131.00]
Inp	1107.00		NIST
Inp	1105.00		NIST
Inp	1089.00		NIST
Inp	1092.00		NIST
Inp	1064.00		NIST
Inp	1131.00		NIST
Inp	1064.00		NIST
Inp	1131.00		NIST
I	[1639.00; 1713.00]
I	1713.00		NIST
I	1710.00		NIST
I	1686.00		NIST
I	1689.00		NIST
I	1702.00		NIST
I	1689.00		NIST
I	1682.00		NIST
I	1682.00		NIST
I	1682.00		NIST
I	1663.00		NIST
I	Outlier 1639.00		NIST
I	1702.00		NIST
I	1663.00		NIST

Similar Compounds

Find more compounds similar to 2-Thiophenemethanethiol.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.