CAS: 70398-87-7
名称: 1-bromo-3-propan-2-ylsulfanylbenzene
SMILES:
CC(C)SC1=CC(=CC=C1)BrMolecular Processing
Molecular formula
C9H11BrS
Molecular weight
231.16
Exact mass
229.9765
XLogP
3.95
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
55.14
Supplementary Information
InChIKey: MZHILWWDNMZPFH-UHFFFAOYSA-N
同義語
1-Bromo-3-(isopropylsulfanyl)benzene70398-87-7Benzene, 1-bromo-3-[(1-methylethyl)thio]-1-bromo-3-(propan-2-ylsulfanyl)benzene(3-bromophenyl)(isopropyl)sulfaneMFCD261427111-bromo-3-propan-2-ylsulfanylbenzene1-bromo-3-isopropylsulfanyl-benzeneSCHEMBL3093787SCHEMBL312758161-bromo-3-(isopropylthio)benzeneMZHILWWDNMZPFH-UHFFFAOYSA-NVCA39887AT26737EN300-6825395F094811
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