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Home > Bromides > 1349708-74-2
1349708-74-2 | 2-Bromo-6-methylbenzenethiol
CAS No: 1349708-74-2 Catalog No: AG01FFAL MDL No:MFCD20233352
Product Description
Catalog Number:
AG01FFAL
Chemical Name:
2-Bromo-6-methylbenzenethiol
CAS Number:
1349708-74-2
Molecular Formula:
C7H7BrS
Molecular Weight:
203.0995
MDL Number:
MFCD20233352
IUPAC Name:
2-bromo-6-methylbenzenethiol
InChI:
InChI=1S/C7H7BrS/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
InChI Key:
NDMGTPAJFVXXFH-UHFFFAOYSA-N
SMILES:
Sc1c(C)cccc1Br
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.097g/mol
Monoisotopic Mass:
201.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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