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10276-04-7 | Benzene, [(3-methyl-2-buten-1-yl)thio]-
CAS No: 10276-04-7 Catalog No: AG0008BC MDL No:
Product Description
Catalog Number:
AG0008BC
Chemical Name:
Benzene, [(3-methyl-2-buten-1-yl)thio]-
CAS Number:
10276-04-7
Molecular Formula:
C11H14S
Molecular Weight:
178.2939
IUPAC Name:
3-methylbut-2-enylsulfanylbenzene
InChI:
InChI=1S/C11H14S/c1-10(2)8-9-12-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChI Key:
NYZWUNJQCIIVSA-UHFFFAOYSA-N
SMILES:
CC(=CCSc1ccccc1)C
EC Number:
600-345-2
NSC Number:
310537
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.293g/mol
Monoisotopic Mass:
178.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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