Chemical Properties of 2-Thiophenethiol (CAS 7774-74-5)

InChI

InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H

InChI Key

SWEDAZLCYJDAGW-UHFFFAOYSA-N

Formula

C4H4S2

SMILES

Sc1cccs1

Molecular Weight¹

116.20

CAS

7774-74-5

Other Names

• 2-Mercaptothiophene
• Thiophene-2-thiol
• 2-thienylthiol
• 2-Thienyl mercaptan
• «alpha»-Thienyl mercaptan

• 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	-1.74		Crippen Calculated Property
logPoct/wat	2.037		Crippen Calculated Property
McVol	80.460	ml/mol	McGowan Calculated Property
Inp	[920.00; 976.70]
Inp	942.00		NIST
Inp	946.00		NIST
Inp	953.00		NIST
Inp	920.00		NIST
Inp	921.00		NIST
Inp	925.00		NIST
Inp	976.70		NIST
Inp	961.00		NIST
Inp	953.00		NIST
Inp	961.00		NIST
I	[1524.00; 1561.00]
I	1530.00		NIST
I	1559.00		NIST
I	1561.00		NIST
I	1532.00		NIST
I	1524.00		NIST
I	1559.00		NIST
I	1532.00		NIST
I	1530.00		NIST

Similar Compounds

Find more compounds similar to 2-Thiophenethiol.

Sources

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

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