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1,4-Butanedithiol

Catalog Number
ACM1191088
CAS Number
1191-08-8
Product Name
1,4-Butanedithiol
Structure
Category
Self-Assembly Materials; Monomers
Synonyms
1,4-Dibutyl mercaptan
IUPAC Name
Butane-1,4-dithiol
Molecular Weight
122.3
Molecular Formula
C4H10S2
Canonical SMILES
C(CCS)CS
InChI
InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
InChI Key
SMTOKHQOVJRXLK-UHFFFAOYSA-N
Boiling Point
105-106 °C
Melting Point
-53.9 °C
Flash Point
>230 °F
Purity
95%+
Density
1.042 g/mL at 25 °C(lit.)
Complexity
17.5
Covalently-Bonded Unit Count
1
EC Number
214-728-3
Exact Mass
122.02239267
Formal Charge
0
Heavy Atom Count
6
Monoisotopic Mass
122.02239267
NSC Number
60198
Refractive Index
n20/D 1.529(lit.)
Rotatable Bond Count
3
Topological Polar Surface Area
2 Ų
UNII
7JD227IUMC
XLogP3
1.5
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