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100378-43-6 | Methanol, 1-[(phenylmethyl)thio]-
CAS No: 100378-43-6 Catalog No: AG0001T9 MDL No:
Product Description
Catalog Number:
AG0001T9
Chemical Name:
Methanol, 1-[(phenylmethyl)thio]-
CAS Number:
100378-43-6
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
IUPAC Name:
benzylsulfanylmethanol
InChI:
InChI=1S/C8H10OS/c9-7-10-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
RRGVORDGAOCWNZ-UHFFFAOYSA-N
SMILES:
OCSCc1ccccc1
Properties
Complexity:
79.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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