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89005-26-5 | 3-Buten-2-ol, 2-methyl-3,4-bis(phenylthio)-
CAS No: 89005-26-5 Catalog No: AG0044UQ MDL No:
Product Description
Catalog Number:
AG0044UQ
Chemical Name:
3-Buten-2-ol, 2-methyl-3,4-bis(phenylthio)-
CAS Number:
89005-26-5
Molecular Formula:
C17H18OS2
Molecular Weight:
302.4542
IUPAC Name:
2-methyl-3,4-bis(phenylsulfanyl)but-3-en-2-ol
InChI:
InChI=1S/C17H18OS2/c1-17(2,18)16(20-15-11-7-4-8-12-15)13-19-14-9-5-3-6-10-14/h3-13,18H,1-2H3
InChI Key:
GPCDKGJGEAVPRC-UHFFFAOYSA-N
SMILES:
CC(C(=CSc1ccccc1)Sc1ccccc1)(O)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.45g/mol
Monoisotopic Mass:
302.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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