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31964-52-0 | 3,4-dihydroisoquinoline-2(1H)-carbothioamide
CAS No: 31964-52-0 Catalog No: AG00C8DP MDL No:MFCD09055278
Product Description
Catalog Number:
AG00C8DP
Chemical Name:
3,4-dihydroisoquinoline-2(1H)-carbothioamide
CAS Number:
31964-52-0
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD09055278
IUPAC Name:
3,4-dihydro-1H-isoquinoline-2-carbothioamide
InChI:
InChI=1S/C10H12N2S/c11-10(13)12-6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,11,13)
InChI Key:
JZQZVILRSLXZCO-UHFFFAOYSA-N
SMILES:
NC(=S)N1CCc2c(C1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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