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88476-39-5 | 1-Propanethiol, 2-bromo-2-methyl-
CAS No: 88476-39-5 Catalog No: AG0049PU MDL No:
Product Description
Catalog Number:
AG0049PU
Chemical Name:
1-Propanethiol, 2-bromo-2-methyl-
CAS Number:
88476-39-5
Molecular Formula:
C4H9BrS
Molecular Weight:
169.0833
IUPAC Name:
2-bromo-2-methylpropane-1-thiol
InChI:
InChI=1S/C4H9BrS/c1-4(2,5)3-6/h6H,3H2,1-2H3
InChI Key:
QYIXAKXDTWOBFZ-UHFFFAOYSA-N
SMILES:
SCC(Br)(C)C
Properties
Complexity:
42.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.961g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.08g/mol
Monoisotopic Mass:
167.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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