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Home Other Building Blocks Hydrazinecarbothioamide, N-(4-methylphenyl)-

Hydrazinecarbothioamide, N-(4-methylphenyl)-

CAS No.:
13278-67-6
Catalog Number:
AG00115T
Molecular Formula:
C8H11N3S
Molecular Weight:
181.2580
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Product Description
Catalog Number:
AG00115T
Chemical Name:
Hydrazinecarbothioamide, N-(4-methylphenyl)-
CAS Number:
13278-67-6
Molecular Formula:
C8H11N3S
Molecular Weight:
181.2580
MDL Number:
MFCD11100743
IUPAC Name:
1-amino-3-(4-methylphenyl)thiourea
InChI:
InChI=1S/C8H11N3S/c1-6-2-4-7(5-3-6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)
InChI Key:
IEAWRKQVDLFINI-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1)C
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.067g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
181.257g/mol
Monoisotopic Mass:
181.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
3-[(Furan-2-yl-methyl-idene)amino]-1-(4-methyl-phen-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20110201
Ethyl 3-[2-(p-tolyl-carbamothio-yl)hydrazinyl-idene]butano-ate. Acta crystallographica. Section E, Structure reports online 20101101
Properties