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860651-49-6 | 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
CAS No: 860651-49-6 Catalog No: AG00IWC7 MDL No:MFCD04124411
Product Description
Catalog Number:
AG00IWC7
Chemical Name:
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
CAS Number:
860651-49-6
Molecular Formula:
C9H10N2OS2
Molecular Weight:
226.3185
MDL Number:
MFCD04124411
IUPAC Name:
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
InChI:
InChI=1S/C9H10N2OS2/c1-5-6(2)14-9(10-5)3-8-11-7(12)4-13-8/h4,12H,3H2,1-2H3
InChI Key:
WPWBPTRHRAZEBZ-UHFFFAOYSA-N
SMILES:
Oc1csc(n1)Cc1sc(c(n1)C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.312g/mol
Monoisotopic Mass:
226.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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