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1819-50-7 | Thiourea, N-(6-chloro-2-benzothiazolyl)-N'-(4-methylphenyl)-
CAS No: 1819-50-7 Catalog No: AG00237X MDL No:
Product Description
Catalog Number:
AG00237X
Chemical Name:
Thiourea, N-(6-chloro-2-benzothiazolyl)-N'-(4-methylphenyl)-
CAS Number:
1819-50-7
Molecular Formula:
C15H12ClN3S2
Molecular Weight:
333.8589
IUPAC Name:
1-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)thiourea
InChI:
InChI=1S/C15H12ClN3S2/c1-9-2-5-11(6-3-9)17-14(20)19-15-18-12-7-4-10(16)8-13(12)21-15/h2-8H,1H3,(H2,17,18,19,20)
InChI Key:
YBHWILVUCLDENH-UHFFFAOYSA-N
SMILES:
S=C(Nc1nc2c(s1)cc(cc2)Cl)Nc1ccc(cc1)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.016g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.852g/mol
Monoisotopic Mass:
333.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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