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1519-70-6 | 1,4-PHENYLENEBIS(THIOUREA)
CAS No: 1519-70-6 Catalog No: AG003DPG MDL No:MFCD00022169
Product Description
Catalog Number:
AG003DPG
Chemical Name:
1,4-PHENYLENEBIS(THIOUREA)
CAS Number:
1519-70-6
Molecular Formula:
C8H10N4S2
Molecular Weight:
226.3218
MDL Number:
MFCD00022169
IUPAC Name:
[4-(carbamothioylamino)phenyl]thiourea
InChI:
InChI=1S/C8H10N4S2/c9-7(13)11-5-1-2-6(4-3-5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)
InChI Key:
AMNPXXIGUOKIPP-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cc1)NC(=S)N
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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