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Home > Other Heterocycles > 2060041-34-9
2060041-34-9 | 7-oxabicyclo[2.2.1]heptane-1-carbothioamide
CAS No: 2060041-34-9 Catalog No: AG01BQAR MDL No:MFCD30501199
Product Description
Catalog Number:
AG01BQAR
Chemical Name:
7-oxabicyclo[2.2.1]heptane-1-carbothioamide
CAS Number:
2060041-34-9
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
MDL Number:
MFCD30501199
IUPAC Name:
7-oxabicyclo[2.2.1]heptane-1-carbothioamide
InChI:
InChI=1S/C7H11NOS/c8-6(10)7-3-1-5(9-7)2-4-7/h5H,1-4H2,(H2,8,10)
InChI Key:
OFAIJVVLEZZIEZ-UHFFFAOYSA-N
SMILES:
NC(=S)C12CCC(O2)CC1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.231g/mol
Monoisotopic Mass:
157.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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