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68881-66-3 | AZEPANE-1-CARBOTHIOAMIDE
CAS No: 68881-66-3 Catalog No: AG006FZ0 MDL No:MFCD09055277
Product Description
Catalog Number:
AG006FZ0
Chemical Name:
AZEPANE-1-CARBOTHIOAMIDE
CAS Number:
68881-66-3
Molecular Formula:
C7H14N2S
Molecular Weight:
158.2645
MDL Number:
MFCD09055277
IUPAC Name:
azepane-1-carbothioamide
InChI:
InChI=1S/C7H14N2S/c8-7(10)9-5-3-1-2-4-6-9/h1-6H2,(H2,8,10)
InChI Key:
QSQNPWDEVCHJJC-UHFFFAOYSA-N
SMILES:
NC(=S)N1CCCCCC1
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.088g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.263g/mol
Monoisotopic Mass:
158.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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