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41401-36-9 | 4-(4-IODOPHENYL)-3-THIOSEMICARBAZIDE
CAS No: 41401-36-9 Catalog No: AG00CHMM MDL No:MFCD00060581
Product Description
Catalog Number:
AG00CHMM
Chemical Name:
4-(4-IODOPHENYL)-3-THIOSEMICARBAZIDE
CAS Number:
41401-36-9
Molecular Formula:
C7H8IN3S
Molecular Weight:
293.1280
MDL Number:
MFCD00060581
IUPAC Name:
1-amino-3-(4-iodophenyl)thiourea
InChI:
InChI=1S/C7H8IN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChI Key:
CCSJNFXUPWXVKI-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1)I
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.948g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
293.126g/mol
Monoisotopic Mass:
292.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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