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4521-31-7 | (2-Mercaptophenyl)methanol
CAS No: 4521-31-7 Catalog No: AG003HIC MDL No:MFCD00014448
Product Description
Catalog Number:
AG003HIC
Chemical Name:
(2-Mercaptophenyl)methanol
CAS Number:
4521-31-7
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
MDL Number:
MFCD00014448
IUPAC Name:
(2-sulfanylphenyl)methanol
InChI:
InChI=1S/C7H8OS/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
InChI Key:
FYWFCRHZXORPFH-UHFFFAOYSA-N
SMILES:
OCc1ccccc1S
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.2g/mol
Monoisotopic Mass:
140.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Detection of lung, breast, colorectal, and prostate cancers from exhaled breath using a single array of nanosensors. | British journal of cancer 20100810 |
| Sulfur K-edge spectroscopic investigation of second coordination sphere effects in oxomolybdenum-thiolates: relationship to molybdenum-cysteine covalency and electron transfer in sulfite oxidase. | Inorganic chemistry 20070219 |
| Kinetics and mechanism of hydration of o-thioquinone methide in aqueous solution. Rate-determining protonation of sulfur. | The Journal of organic chemistry 20050304 |
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