(5-chloro-2-methylsulfanylphenyl)methanol

C8H9ClOS — CID 83802070

IUPAC(5-chloro-2-methylsulfanylphenyl)methanol
SMILESCSc1ccc(Cl)cc1CO
InChIInChI=1S/C8H9ClOS/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3
InChIKeyWNJBPQUOJMBPHW-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.55
Rot. Bonds2

About (5-chloro-2-methylsulfanylphenyl)methanol

(5-chloro-2-methylsulfanylphenyl)methanol (PubChem CID 83802070) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is (5-chloro-2-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methylsulfanylphenyl)methanol
PubChem CID83802070
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name(5-chloro-2-methylsulfanylphenyl)methanol
SMILESCSc1ccc(Cl)cc1CO
InChIInChI=1S/C8H9ClOS/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3
InChIKeyWNJBPQUOJMBPHW-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
CID 82553412
3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
CID 82264895
[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
4-(5-chloro-2-methylsulfanylphenyl)butan-1-amine
CID 117331778
(5-chloro-2-cyclohexylsulfanylphenyl)methanol
CID 114865544
[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 114865556
methyl 2-[4-chloro-2-(hydroxymethyl)phenyl]sulfanylacetate
CID 114865527
N-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864701
[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]methanol
CID 103290841
(2-chloro-6-fluoro-3-methylsulfanylphenyl)methanol
CID 171367252
[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol
CID 114865538
(5-chloro-2-methylsulfanylphenyl)methanediol
CID 90940010

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylsulfanylphenyl)methanol?
The IUPAC name of (5-chloro-2-methylsulfanylphenyl)methanol (CID 83802070) is (5-chloro-2-methylsulfanylphenyl)methanol.
What is the SMILES notation for (5-chloro-2-methylsulfanylphenyl)methanol?
The canonical SMILES for (5-chloro-2-methylsulfanylphenyl)methanol is CSc1ccc(Cl)cc1CO.
What is the InChIKey of (5-chloro-2-methylsulfanylphenyl)methanol?
The InChIKey is WNJBPQUOJMBPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3.
What are the key properties of (5-chloro-2-methylsulfanylphenyl)methanol?
(5-chloro-2-methylsulfanylphenyl)methanol has a molecular weight of 188.68 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylsulfanylphenyl)methanol is sourced from PubChem (CID 83802070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).