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Home > Other Heterocycles > 749185-50-0
749185-50-0 | 1-Azabicyclo[2.2.1]heptane-4-carbothioamide
CAS No: 749185-50-0 Catalog No: AG005S6E MDL No:MFCD18806521
Product Description
Catalog Number:
AG005S6E
Chemical Name:
1-Azabicyclo[2.2.1]heptane-4-carbothioamide
CAS Number:
749185-50-0
Molecular Formula:
C7H12N2S
Molecular Weight:
156.2486
MDL Number:
MFCD18806521
IUPAC Name:
1-azabicyclo[2.2.1]heptane-4-carbothioamide
InChI:
InChI=1S/C7H12N2S/c8-6(10)7-1-3-9(5-7)4-2-7/h1-5H2,(H2,8,10)
InChI Key:
RXCKBQDUGSBCFU-UHFFFAOYSA-N
SMILES:
NC(=S)C12CCN(C2)CC1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.247g/mol
Monoisotopic Mass:
156.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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