2-hydroxysulfanyl-4-methoxyphenol

C7H8O3S — CID 143396910

IUPAC2-hydroxysulfanyl-4-methoxyphenol
SMILESCOc1ccc(O)c(SO)c1
InChIInChI=1S/C7H8O3S/c1-10-5-2-3-6(8)7(4-5)11-9/h2-4,8-9H,1H3
InChIKeyXPQQRZQSVIOCKO-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.97
Rot. Bonds2

About 2-hydroxysulfanyl-4-methoxyphenol

2-hydroxysulfanyl-4-methoxyphenol (PubChem CID 143396910) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-hydroxysulfanyl-4-methoxyphenol.

Molecular Properties

Compound Name2-hydroxysulfanyl-4-methoxyphenol
PubChem CID143396910
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Name2-hydroxysulfanyl-4-methoxyphenol
SMILESCOc1ccc(O)c(SO)c1
InChIInChI=1S/C7H8O3S/c1-10-5-2-3-6(8)7(4-5)11-9/h2-4,8-9H,1H3
InChIKeyXPQQRZQSVIOCKO-UHFFFAOYSA-N
XLogP1.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethylsulfanyl)-4-methoxyphenol
CID 86108136
2-chloro-1-hydroxysulfanyl-4-methoxybenzene
CID 123526479
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol
CID 102203770
1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one
CID 131010117
2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol
CID 91879746
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
CID 130612678
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
2-[(1S)-1-amino-2-fluoroethyl]-4-methoxyphenol
CID 130739611

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanyl-4-methoxyphenol?
The IUPAC name of 2-hydroxysulfanyl-4-methoxyphenol (CID 143396910) is 2-hydroxysulfanyl-4-methoxyphenol.
What is the SMILES notation for 2-hydroxysulfanyl-4-methoxyphenol?
The canonical SMILES for 2-hydroxysulfanyl-4-methoxyphenol is COc1ccc(O)c(SO)c1.
What is the InChIKey of 2-hydroxysulfanyl-4-methoxyphenol?
The InChIKey is XPQQRZQSVIOCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c1-10-5-2-3-6(8)7(4-5)11-9/h2-4,8-9H,1H3.
What are the key properties of 2-hydroxysulfanyl-4-methoxyphenol?
2-hydroxysulfanyl-4-methoxyphenol has a molecular weight of 172.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanyl-4-methoxyphenol is sourced from PubChem (CID 143396910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).