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52414-82-1 | Thiazole, 5-propyl-
CAS No: 52414-82-1 Catalog No: AG006UDE MDL No:
Product Description
Catalog Number:
AG006UDE
Chemical Name:
Thiazole, 5-propyl-
CAS Number:
52414-82-1
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
IUPAC Name:
5-propyl-1,3-thiazole
InChI:
InChI=1S/C6H9NS/c1-2-3-6-4-7-5-8-6/h4-5H,2-3H2,1H3
InChI Key:
RGPMCMYHWAEMSM-UHFFFAOYSA-N
SMILES:
CCCc1cncs1
EC Number:
257-902-4
Properties
Complexity:
65.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.046g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.205g/mol
Monoisotopic Mass:
127.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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