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88324-54-3 | Hydrazinecarbothioamide, N-ethyl-2-[1-(4-pyridinyl)ethylidene]-
CAS No: 88324-54-3 Catalog No: AG0047LO MDL No:
Product Description
Catalog Number:
AG0047LO
Chemical Name:
Hydrazinecarbothioamide, N-ethyl-2-[1-(4-pyridinyl)ethylidene]-
CAS Number:
88324-54-3
Molecular Formula:
C10H14N4S
Molecular Weight:
222.3100
IUPAC Name:
1-ethyl-3-(1-pyridin-4-ylethylideneamino)thiourea
InChI:
InChI=1S/C10H14N4S/c1-3-12-10(15)14-13-8(2)9-4-6-11-7-5-9/h4-7H,3H2,1-2H3,(H2,12,14,15)
InChI Key:
NZRZQZCRMACCQH-UHFFFAOYSA-N
SMILES:
CCNC(=S)NN=C(c1ccncc1)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.31g/mol
Monoisotopic Mass:
222.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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