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30439-35-1 | Benzene, 1-(methylthio)-2-(1-propen-1-yl)-
CAS No: 30439-35-1 Catalog No: AG00304N MDL No:
Product Description
Catalog Number:
AG00304N
Chemical Name:
Benzene, 1-(methylthio)-2-(1-propen-1-yl)-
CAS Number:
30439-35-1
Molecular Formula:
C10H12S
Molecular Weight:
164.2673
IUPAC Name:
1-methylsulfanyl-2-prop-1-enylbenzene
InChI:
InChI=1S/C10H12S/c1-3-6-9-7-4-5-8-10(9)11-2/h3-8H,1-2H3
InChI Key:
WSPVKXDEEAGDLF-UHFFFAOYSA-N
SMILES:
CC=Cc1ccccc1SC
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.266g/mol
Monoisotopic Mass:
164.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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