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13749-55-8 | Methanethioamide, N,N-dibutyl-
CAS No: 13749-55-8 Catalog No: AG0013D6 MDL No:
Product Description
Catalog Number:
AG0013D6
Chemical Name:
Methanethioamide, N,N-dibutyl-
CAS Number:
13749-55-8
Molecular Formula:
C9H19NS
Molecular Weight:
173.3189
IUPAC Name:
N,N-dibutylmethanethioamide
InChI:
InChI=1S/C9H19NS/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
InChI Key:
CAFIJTOSFTXYRS-UHFFFAOYSA-N
SMILES:
CCCCN(C=S)CCCC
NSC Number:
513310
Properties
Complexity:
85.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.124g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.318g/mol
Monoisotopic Mass:
173.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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