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93951-52-1 | BUTYLPROPYLTHIAZOLE
CAS No: 93951-52-1 Catalog No: AG005XA5 MDL No:
Product Description
Catalog Number:
AG005XA5
Chemical Name:
BUTYLPROPYLTHIAZOLE
CAS Number:
93951-52-1
Molecular Formula:
C10H17NS
Molecular Weight:
183.3137
IUPAC Name:
4-butyl-2-propyl-1,3-thiazole
InChI:
InChI=1S/C10H17NS/c1-3-5-7-9-8-12-10(11-9)6-4-2/h8H,3-7H2,1-2H3
InChI Key:
MXSITAWVUFGESV-UHFFFAOYSA-N
SMILES:
CCCCc1csc(n1)CCC
EC Number:
300-672-8
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.108g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.313g/mol
Monoisotopic Mass:
183.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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