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69390-14-3 | Thiazole, 2-(butylthio)-4,5-dihydro-
CAS No: 69390-14-3 Catalog No: AG005MS1 MDL No:
Product Description
Catalog Number:
AG005MS1
Chemical Name:
Thiazole, 2-(butylthio)-4,5-dihydro-
CAS Number:
69390-14-3
Molecular Formula:
C7H13NS2
Molecular Weight:
175.3148
IUPAC Name:
2-butylsulfanyl-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C7H13NS2/c1-2-3-5-9-7-8-4-6-10-7/h2-6H2,1H3
InChI Key:
ATSNNLQPZFXLMD-UHFFFAOYSA-N
SMILES:
CCCCSC1=NCCS1
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.308g/mol
Monoisotopic Mass:
175.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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