4-chloro-2-methylsulfanylphenol

C7H7ClOS — CID 13199339

IUPAC4-chloro-2-methylsulfanylphenol
SMILESCSc1cc(Cl)ccc1O
InChIInChI=1S/C7H7ClOS/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKeyNUNDJHWAFRVDIO-UHFFFAOYSA-N
MW174.65 g/mol
LogP2.77
Rot. Bonds1

About 4-chloro-2-methylsulfanylphenol

4-chloro-2-methylsulfanylphenol (PubChem CID 13199339) has the molecular formula C7H7ClOS and a molecular weight of 174.65 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanylphenol.

Molecular Properties

Compound Name4-chloro-2-methylsulfanylphenol
PubChem CID13199339
Molecular FormulaC7H7ClOS
Molecular Weight174.65 g/mol
Exact Mass173.99
IUPAC Name4-chloro-2-methylsulfanylphenol
SMILESCSc1cc(Cl)ccc1O
InChIInChI=1S/C7H7ClOS/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKeyNUNDJHWAFRVDIO-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.65
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol
CID 144977833
4-fluoro-2-methylsulfanylphenol
CID 13199340
(5-chloro-2-methylsulfanylphenyl)methanediol
CID 90940010
4-chloro-1-methyl-2-methylsulfanylbenzene;ethane
CID 177366808
4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea
CID 146661586
4-chloro-2-methylsulfanylaniline;hydrochloride
CID 122360132
4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene
CID 142881124
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
2-benzhydrylsulfanyl-4-chlorophenol
CID 139616974
4-chloro-2-[(2-methylsulfanylanilino)methyl]phenol
CID 43683485
4-chloro-2-methylsulfanylbenzonitrile
CID 19076710

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanylphenol?
The IUPAC name of 4-chloro-2-methylsulfanylphenol (CID 13199339) is 4-chloro-2-methylsulfanylphenol.
What is the SMILES notation for 4-chloro-2-methylsulfanylphenol?
The canonical SMILES for 4-chloro-2-methylsulfanylphenol is CSc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-methylsulfanylphenol?
The InChIKey is NUNDJHWAFRVDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClOS/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3.
What are the key properties of 4-chloro-2-methylsulfanylphenol?
4-chloro-2-methylsulfanylphenol has a molecular weight of 174.65 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanylphenol is sourced from PubChem (CID 13199339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).