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128519-41-5 | 1-Piperidinecarbodithioic acid, formylazanyl ester
CAS No: 128519-41-5 Catalog No: AG000Y5B MDL No:
Product Description
Catalog Number:
AG000Y5B
Chemical Name:
1-Piperidinecarbodithioic acid, formylazanyl ester
CAS Number:
128519-41-5
Molecular Formula:
C7H12N2OS2
Molecular Weight:
204.3130
IUPAC Name:
formamido piperidine-1-carbodithioate
InChI:
InChI=1S/C7H12N2OS2/c10-6-8-12-7(11)9-4-2-1-3-5-9/h6H,1-5H2,(H,8,10)
InChI Key:
XCANVFGZHJQCIF-UHFFFAOYSA-N
SMILES:
O=CNSC(=S)N1CCCCC1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.306g/mol
Monoisotopic Mass:
204.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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