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82846-54-6 | N,N-DIETHYL-1-(1-NITROSOPYRROLIDIN-2-YL)SULFANYL-METHANETHIOAMIDE
CAS No: 82846-54-6 Catalog No: AG004WJZ MDL No:
Product Description
Catalog Number:
AG004WJZ
Chemical Name:
N,N-DIETHYL-1-(1-NITROSOPYRROLIDIN-2-YL)SULFANYL-METHANETHIOAMIDE
CAS Number:
82846-54-6
Molecular Formula:
C9H17N3OS2
Molecular Weight:
247.3808
IUPAC Name:
(1-nitrosopyrrolidin-2-yl) N,N-diethylcarbamodithioate
InChI:
InChI=1S/C9H17N3OS2/c1-3-11(4-2)9(14)15-8-6-5-7-12(8)10-13/h8H,3-7H2,1-2H3
InChI Key:
DCEAHLIVXZOPKQ-UHFFFAOYSA-N
SMILES:
CCN(C(=S)SC1CCCN1N=O)CC
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.375g/mol
Monoisotopic Mass:
247.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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