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Home > Thiazole > 1400540-67-1
1400540-67-1 | [4-propyl-2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]methanol
CAS No: 1400540-67-1 Catalog No: AG00HVPT MDL No:MFCD22383830
Product Description
Catalog Number:
AG00HVPT
Chemical Name:
[4-propyl-2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]methanol
CAS Number:
1400540-67-1
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD22383830
IUPAC Name:
(4-propyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanol
InChI:
InChI=1S/C11H14N2OS/c1-2-5-9-10(8-14)15-11(12-9)13-6-3-4-7-13/h3-4,6-7,14H,2,5,8H2,1H3
InChI Key:
ORXBULBLMRRZAN-UHFFFAOYSA-N
SMILES:
CCCc1nc(sc1CO)n1cccc1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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