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75980-65-3

75980-65-3 | 2H-Thiopyran, 2-ethyl-

CAS No: 75980-65-3 Catalog No: AG005GVK MDL No:

Product Description

Catalog Number:
AG005GVK
Chemical Name:
2H-Thiopyran, 2-ethyl-
CAS Number:
75980-65-3
Molecular Formula:
C7H10S
Molecular Weight:
126.2193
IUPAC Name:
2-ethyl-2H-thiopyran
InChI:
InChI=1S/C7H10S/c1-2-7-5-3-4-6-8-7/h3-7H,2H2,1H3
InChI Key:
GQGPAOVRSUWPSI-UHFFFAOYSA-N
SMILES:
CCC1SC=CC=C1

Properties

Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.05g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.217g/mol
Monoisotopic Mass:
126.05g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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