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112500-01-3 | Pyrrolo[2,1-b]thiazol-3(2H)-one, tetrahydro-6,6,7a-trimethyl-
CAS No: 112500-01-3 Catalog No: AG007T47 MDL No:
Product Description
Catalog Number:
AG007T47
Chemical Name:
Pyrrolo[2,1-b]thiazol-3(2H)-one, tetrahydro-6,6,7a-trimethyl-
CAS Number:
112500-01-3
Molecular Formula:
C9H15NOS
Molecular Weight:
185.2865
IUPAC Name:
6,6,7a-trimethyl-5,7-dihydropyrrolo[2,1-b][1,3]thiazol-3-one
InChI:
InChI=1S/C9H15NOS/c1-8(2)5-9(3)10(6-8)7(11)4-12-9/h4-6H2,1-3H3
InChI Key:
WQMPKRLDSRIUIG-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1CC(C2)(C)C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.285g/mol
Monoisotopic Mass:
185.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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