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14856-64-5 | 2H-Thiopyran, tetrahydro-2-phenyl-, 1,1-dioxide
CAS No: 14856-64-5 Catalog No: AG001L0T MDL No:
Product Description
Catalog Number:
AG001L0T
Chemical Name:
2H-Thiopyran, tetrahydro-2-phenyl-, 1,1-dioxide
CAS Number:
14856-64-5
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
IUPAC Name:
2-phenylthiane 1,1-dioxide
InChI:
InChI=1S/C11H14O2S/c12-14(13)9-5-4-8-11(14)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChI Key:
MWEOQHCPPDMTOU-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCCC1c1ccccc1
NSC Number:
140240
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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