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10224-98-3 | 1-Piperidinecarbodithioic acid, phenylmethyl ester
CAS No: 10224-98-3 Catalog No: AG00070A MDL No:
Product Description
Catalog Number:
AG00070A
Chemical Name:
1-Piperidinecarbodithioic acid, phenylmethyl ester
CAS Number:
10224-98-3
Molecular Formula:
C13H17NS2
Molecular Weight:
251.4108
IUPAC Name:
benzyl piperidine-1-carbodithioate
InChI:
InChI=1S/C13H17NS2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChI Key:
QSWDNWRSPHYBTD-UHFFFAOYSA-N
SMILES:
S=C(N1CCCCC1)SCc1ccccc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.406g/mol
Monoisotopic Mass:
251.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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