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144334-71-4 | 2-Propenethioic acid, 2-methyl-, S-pentyl ester
CAS No: 144334-71-4 Catalog No: AG001JC8 MDL No:
Product Description
Catalog Number:
AG001JC8
Chemical Name:
2-Propenethioic acid, 2-methyl-, S-pentyl ester
CAS Number:
144334-71-4
Molecular Formula:
C9H16OS
Molecular Weight:
172.2877
IUPAC Name:
S-pentyl 2-methylprop-2-enethioate
InChI:
InChI=1S/C9H16OS/c1-4-5-6-7-11-9(10)8(2)3/h2,4-7H2,1,3H3
InChI Key:
QTSJDGHDTLMABT-UHFFFAOYSA-N
SMILES:
CCCCCSC(=O)C(=C)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.092g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.286g/mol
Monoisotopic Mass:
172.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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