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87555-54-2 | Hydrazinecarbothioamide, 2-[1-(1-isoquinolinyl)ethyl]-N,N-dimethyl-
CAS No: 87555-54-2 Catalog No: AG004JBE MDL No:
Product Description
Catalog Number:
AG004JBE
Chemical Name:
Hydrazinecarbothioamide, 2-[1-(1-isoquinolinyl)ethyl]-N,N-dimethyl-
CAS Number:
87555-54-2
Molecular Formula:
C14H18N4S
Molecular Weight:
274.3845
IUPAC Name:
3-(1-isoquinolin-1-ylethylamino)-1,1-dimethylthiourea
InChI:
InChI=1S/C14H18N4S/c1-10(16-17-14(19)18(2)3)13-12-7-5-4-6-11(12)8-9-15-13/h4-10,16H,1-3H3,(H,17,19)
InChI Key:
NUWUZHOZAGKMQH-UHFFFAOYSA-N
SMILES:
S=C(N(C)C)NNC(c1nccc2c1cccc2)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.386g/mol
Monoisotopic Mass:
274.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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