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114857-79-3 | Phenol, 4-[(2-thiazolylimino)methyl]-
CAS No: 114857-79-3 Catalog No: AG000FC6 MDL No:
Product Description
Catalog Number:
AG000FC6
Chemical Name:
Phenol, 4-[(2-thiazolylimino)methyl]-
CAS Number:
114857-79-3
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
IUPAC Name:
4-(1,3-thiazol-2-yliminomethyl)phenol
InChI:
InChI=1S/C10H8N2OS/c13-9-3-1-8(2-4-9)7-12-10-11-5-6-14-10/h1-7,13H
InChI Key:
LEXABYIVSICYNZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=Nc1nccs1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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