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10264-39-8

10264-39-8 | Carbamodithioic acid, N,N-diethyl-, 2-cyanoethyl ester

CAS No: 10264-39-8 Catalog No: AG00080S MDL No:

Product Description

Catalog Number:
AG00080S
Chemical Name:
Carbamodithioic acid, N,N-diethyl-, 2-cyanoethyl ester
CAS Number:
10264-39-8
Molecular Formula:
C8H14N2S2
Molecular Weight:
202.3402
IUPAC Name:
2-cyanoethyl N,N-diethylcarbamodithioate
InChI:
InChI=1S/C8H14N2S2/c1-3-10(4-2)8(11)12-7-5-6-9/h3-5,7H2,1-2H3
InChI Key:
OVORRQJAJFTHJJ-UHFFFAOYSA-N
SMILES:
CCN(C(=S)SCCC#N)CC

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.06g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.334g/mol
Monoisotopic Mass:
202.06g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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