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13839-14-0

13839-14-0 | Methanethioamide, N,N-diethyl-

CAS No: 13839-14-0 Catalog No: AG0018PO MDL No:

Product Description

Catalog Number:
AG0018PO
Chemical Name:
Methanethioamide, N,N-diethyl-
CAS Number:
13839-14-0
Molecular Formula:
C5H11NS
Molecular Weight:
117.2125
IUPAC Name:
N,N-diethylmethanethioamide
InChI:
InChI=1S/C5H11NS/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3
InChI Key:
QLDXGBQOCBVQMY-UHFFFAOYSA-N
SMILES:
CCN(C=S)CC

Properties

Complexity:
50  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.061g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.21g/mol
Monoisotopic Mass:
117.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
N-(Diethyl-carbamothio-yl)-4-nitro-benzamide. Acta crystallographica. Section E, Structure reports online 20101001

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