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Isobutyl Mercaptan

Catalog Number
ACM513440-1
CAS Number
513-44-0
Product Name
Isobutyl Mercaptan
Structure
Category
Self Assembly and Contact Printing Materials
Description
Liquid;Liquid;colourless liquid with cooked vegetable, mustard-like odour
IUPAC Name
2-methylpropane-1-thiol
Molecular Weight
90.19g/mol
Molecular Formula
C4H10S
Canonical SMILES
CC(C)CS
InChI
InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChI Key
BDFAOUQQXJIZDG-UHFFFAOYSA-N
Boiling Point
88.5 °C
Melting Point
Fp -79 °;-79°C
Density
0.829-0.836
Solubility
soluble in oil and alcohol
Complexity
17.6
Covalently-Bonded Unit Count
1
EC Number
208-162-6
Exact Mass
90.050321g/mol
Formal Charge
0
Heavy Atom Count
5
Monoisotopic Mass
90.050321g/mol
Refractive Index
1.437-1.444
Rotatable Bond Count
1
UNII
9H070UFP2X
Vapor Pressure
69.79 mmHg
XLogP3
1.8
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