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137540-64-8 | 3-Buten-1-ol, 3,4-bis(phenylthio)-, (3Z)-
CAS No: 137540-64-8 Catalog No: AG0013J6 MDL No:
Product Description
Catalog Number:
AG0013J6
Chemical Name:
3-Buten-1-ol, 3,4-bis(phenylthio)-, (3Z)-
CAS Number:
137540-64-8
Molecular Formula:
C16H16OS2
Molecular Weight:
288.4276
IUPAC Name:
3,4-bis(phenylsulfanyl)but-3-en-1-ol
InChI:
InChI=1S/C16H16OS2/c17-12-11-16(19-15-9-5-2-6-10-15)13-18-14-7-3-1-4-8-14/h1-10,13,17H,11-12H2
InChI Key:
PVOQBZUATYYNMU-UHFFFAOYSA-N
SMILES:
OCC/C(=C/Sc1ccccc1)/Sc1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.423g/mol
Monoisotopic Mass:
288.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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