2,2'-Thiodiethanethiol
Product Information
Molecular Formula
C4H10S3
Molecular Weight
154.32
Description
2,2'-Thiodiethanethiol (CAS# 3570-55-6) is a useful research chemical.
Synonyms
2-(2-sulfanylethylsulfanyl)ethanethiol
IUPAC Name
2-(2-sulfanylethylsulfanyl)ethanethiol
SMILES
C(CSCCS)S
InChI
InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI Key
KSJBMDCFYZKAFH-UHFFFAOYSA-N
Boiling Point
138 °C / 13 mmHg
Melting Point
-11 °C
Flash Point
90 °C
Purity
> 97.0 % (GC)
Density
1.183 g/cm3
Appearance
Colorless to almost colorless clear liquid
LogP
1.57920
Safety Information
Hazards
H302:
Harmful if swallowed.
Harmful if swallowed.
Precautionary Statement
P261, P264, P270, P271, P272, P273, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
1.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
153.99446384 g/mol
Monoisotopic Mass
153.99446384 g/mol
Topological Polar Surface Area
27.3Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
26.1
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
