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177365-41-2 | Benzenethiol, 2-bromo-6-(1,1-dimethylethyl)-
CAS No: 177365-41-2 Catalog No: AG00259O MDL No:
Product Description
Catalog Number:
AG00259O
Chemical Name:
Benzenethiol, 2-bromo-6-(1,1-dimethylethyl)-
CAS Number:
177365-41-2
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
IUPAC Name:
2-bromo-6-tert-butylbenzenethiol
InChI:
InChI=1S/C10H13BrS/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,12H,1-3H3
InChI Key:
JIAFHIIVBAYCCU-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1S)C(C)(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.178g/mol
Monoisotopic Mass:
243.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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