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17417-79-7 | Benzene, [(1-methyl-2-buten-1-yl)thio]-
CAS No: 17417-79-7 Catalog No: AG001ZHY MDL No:
Product Description
Catalog Number:
AG001ZHY
Chemical Name:
Benzene, [(1-methyl-2-buten-1-yl)thio]-
CAS Number:
17417-79-7
Molecular Formula:
C11H14S
Molecular Weight:
178.2939
IUPAC Name:
pent-3-en-2-ylsulfanylbenzene
InChI:
InChI=1S/C11H14S/c1-3-7-10(2)12-11-8-5-4-6-9-11/h3-10H,1-2H3
InChI Key:
CFZSIULKNVDJCP-UHFFFAOYSA-N
SMILES:
CC=CC(Sc1ccccc1)C
Properties
Complexity:
134
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:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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