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6691-91-4 | 2-(2-imino-2,3-dihydro-1,3-thiazol-3-yl)-1-(thiophen-2-yl)ethan-1-ol
CAS No: 6691-91-4 Catalog No: AG01BXKM MDL No:MFCD25966007
Product Description
Catalog Number:
AG01BXKM
Chemical Name:
2-(2-imino-2,3-dihydro-1,3-thiazol-3-yl)-1-(thiophen-2-yl)ethan-1-ol
CAS Number:
6691-91-4
Molecular Formula:
C9H10N2OS2
Molecular Weight:
226.3185
MDL Number:
MFCD25966007
IUPAC Name:
2-(2-imino-1,3-thiazol-3-yl)-1-thiophen-2-ylethanol
InChI:
InChI=1S/C9H10N2OS2/c10-9-11(3-5-14-9)6-7(12)8-2-1-4-13-8/h1-5,7,10,12H,6H2
InChI Key:
UQSLEILJOSBZCR-UHFFFAOYSA-N
SMILES:
OC(c1cccs1)Cn1ccsc1=N
Properties
Complexity:
257
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.312g/mol
Monoisotopic Mass:
226.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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