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89335-09-1 | Thiourea, [5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-
CAS No: 89335-09-1 Catalog No: AG003ZGM MDL No:
Product Description
Catalog Number:
AG003ZGM
Chemical Name:
Thiourea, [5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-
CAS Number:
89335-09-1
Molecular Formula:
C9H7ClN4S2
Molecular Weight:
270.7617
IUPAC Name:
[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]thiourea
InChI:
InChI=1S/C9H7ClN4S2/c10-6-3-1-5(2-4-6)7-13-14-9(16-7)12-8(11)15/h1-4H,(H3,11,12,14,15)
InChI Key:
BJMJIYIFJMMIQI-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1nnc(s1)c1ccc(cc1)Cl
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.98g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.753g/mol
Monoisotopic Mass:
269.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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