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188432-41-9 | Carbonodithioic acid, O-[(4-bromophenyl)methyl] S-methyl ester
CAS No: 188432-41-9 Catalog No: AG002GW5 MDL No:
Product Description
Catalog Number:
AG002GW5
Chemical Name:
Carbonodithioic acid, O-[(4-bromophenyl)methyl] S-methyl ester
CAS Number:
188432-41-9
Molecular Formula:
C9H9BrOS2
Molecular Weight:
277.2012
IUPAC Name:
O-[(4-bromophenyl)methyl] methylsulfanylmethanethioate
InChI:
InChI=1S/C9H9BrOS2/c1-13-9(12)11-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChI Key:
PZBHVLFERMVEAT-UHFFFAOYSA-N
SMILES:
CSC(=S)OCc1ccc(cc1)Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.928g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.194g/mol
Monoisotopic Mass:
275.928g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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