3,5-Dimethyl-4-mercaptobenzylalcohol - CAS 1076200-07-1
Catalog: |
BB066960 |
Product Name: |
3,5-Dimethyl-4-mercaptobenzylalcohol |
CAS: |
1076200-07-1 |
Synonyms: |
4-Mercapto-3,5-dimethylbenzenemethanol |
IUPAC Name: | (3,5-dimethyl-4-sulfanylphenyl)methanol |
Description: | 3,5-Dimethyl-4-mercaptobenzylalcohol (cas# 1076200-07-1) is a compound useful in organic synthesis. |
Molecular Weight: | 168.26 |
Molecular Formula: | C9H12OS |
Canonical SMILES: | CC1=CC(=CC(=C1S)C)CO |
InChI: | InChI=1S/C9H12OS/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,10-11H,5H2,1-2H3 |
InChI Key: | ZWYHCZIRXBKMLU-UHFFFAOYSA-N |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.06088618 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.06088618 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 21.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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