Home Halogens 1-bromo-4-[(propan-2-ylsulfanyl)methyl]benzene

1-bromo-4-[(propan-2-ylsulfanyl)methyl]benzene

CAS No.:
1249091-47-1
Catalog Number:
AG01AA5R
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
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Product Description
Catalog Number:
AG01AA5R
Chemical Name:
1-bromo-4-[(propan-2-ylsulfanyl)methyl]benzene
CAS Number:
1249091-47-1
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
MDL Number:
MFCD14644602
IUPAC Name:
1-bromo-4-(propan-2-ylsulfanylmethyl)benzene
InChI:
InChI=1S/C10H13BrS/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
XZSHURYYLLFBGI-UHFFFAOYSA-N
SMILES:
CC(SCc1ccc(cc1)Br)C
Properties
Complexity:
117  
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:
0
Isotope Atom Count:
0
Molecular Weight:
245.178g/mol
Monoisotopic Mass:
243.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties