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1200-00-6

1200-00-6 | Hydrazinecarbothioamide, 2-(4-pyridinylmethylene)-

CAS No: 1200-00-6 Catalog No: AG000Q18 MDL No:

Product Description

Catalog Number:
AG000Q18
Chemical Name:
Hydrazinecarbothioamide, 2-(4-pyridinylmethylene)-
CAS Number:
1200-00-6
Molecular Formula:
C7H8N4S
Molecular Weight:
180.2302
IUPAC Name:
[(E)-pyridin-4-ylmethylideneamino]thiourea
InChI:
InChI=1S/C7H8N4S/c8-7(12)11-10-5-6-1-3-9-4-2-6/h1-5H,(H3,8,11,12)/b10-5+
InChI Key:
QTSJJDIDTYFLFC-BJMVGYQFSA-N
SMILES:
NC(=S)NN=Cc1ccncc1
EC Number:
214-848-6
NSC Number:
731

Properties

Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
180.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.229g/mol
Monoisotopic Mass:
180.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Literature

Title Journal
Inactivation of herpes simplex virus by thiosemicarbazones and certain cations. Antimicrobial agents and chemotherapy 19740401

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