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84137-75-7 | 2-Propanol, 1-(1-methylethoxy)-3-(phenylthio)-
CAS No: 84137-75-7 Catalog No: AG004ZIX MDL No:
Product Description
Catalog Number:
AG004ZIX
Chemical Name:
2-Propanol, 1-(1-methylethoxy)-3-(phenylthio)-
CAS Number:
84137-75-7
Molecular Formula:
C12H18O2S
Molecular Weight:
226.3351
IUPAC Name:
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
InChI:
InChI=1S/C12H18O2S/c1-10(2)14-8-11(13)9-15-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChI Key:
ACMGDXBHUYIAKY-UHFFFAOYSA-N
SMILES:
OC(CSc1ccccc1)COC(C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.334g/mol
Monoisotopic Mass:
226.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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