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159248-38-1 | Carbamodithioic acid, N,N-diethyl-, (ethenylphenyl)methyl ester
CAS No: 159248-38-1 Catalog No: AG001QKH MDL No:
Product Description
Catalog Number:
AG001QKH
Chemical Name:
Carbamodithioic acid, N,N-diethyl-, (ethenylphenyl)methyl ester
CAS Number:
159248-38-1
Molecular Formula:
C14H19NS2
Molecular Weight:
265.4374
IUPAC Name:
(2-ethenylphenyl)methyl N,N-diethylcarbamodithioate
InChI:
InChI=1S/C14H19NS2/c1-4-12-9-7-8-10-13(12)11-17-14(16)15(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3
InChI Key:
IFOXPCORZHHQBS-UHFFFAOYSA-N
SMILES:
CCN(C(=S)SCc1ccccc1C=C)CC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.433g/mol
Monoisotopic Mass:
265.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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