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7713-83-9 | Thiourea, [4-(4-methoxyphenyl)-2-thiazolyl]-
CAS No: 7713-83-9 Catalog No: AG005Q7A MDL No:
Product Description
Catalog Number:
AG005Q7A
Chemical Name:
Thiourea, [4-(4-methoxyphenyl)-2-thiazolyl]-
CAS Number:
7713-83-9
Molecular Formula:
C11H11N3OS2
Molecular Weight:
265.3545
IUPAC Name:
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiourea
InChI:
InChI=1S/C11H11N3OS2/c1-15-8-4-2-7(3-5-8)9-6-17-11(13-9)14-10(12)16/h2-6H,1H3,(H3,12,13,14,16)
InChI Key:
TXBONCGDZQLOKR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1csc(n1)NC(=S)N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.349g/mol
Monoisotopic Mass:
265.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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