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Home > Other Heterocycles > 2060050-60-2
2060050-60-2 | spiro[2.4]heptane-4-carbothioamide
CAS No: 2060050-60-2 Catalog No: AG01BPIO MDL No:MFCD30500283
Product Description
Catalog Number:
AG01BPIO
Chemical Name:
spiro[2.4]heptane-4-carbothioamide
CAS Number:
2060050-60-2
Molecular Formula:
C8H13NS
Molecular Weight:
155.2605
MDL Number:
MFCD30500283
IUPAC Name:
spiro[2.4]heptane-7-carbothioamide
InChI:
InChI=1S/C8H13NS/c9-7(10)6-2-1-3-8(6)4-5-8/h6H,1-5H2,(H2,9,10)
InChI Key:
RLODKKPQNNIEDZ-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCCC21CC2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.077g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.259g/mol
Monoisotopic Mass:
155.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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