(2-chloro-4-hydroxyphenyl)methanesulfinate

C7H6ClO3S- — CID 174533594

IUPAC(2-chloro-4-hydroxyphenyl)methanesulfinate
SMILESO=S([O-])Cc1ccc(O)cc1Cl
InChIInChI=1S/C7H7ClO3S/c8-7-3-6(9)2-1-5(7)4-12(10)11/h1-3,9H,4H2,(H,10,11)/p-1
InChIKeyLUGGVHTUTLTTEH-UHFFFAOYSA-M
MW205.64 g/mol
LogP1.42
Rot. Bonds2

About (2-chloro-4-hydroxyphenyl)methanesulfinate

(2-chloro-4-hydroxyphenyl)methanesulfinate (PubChem CID 174533594) has the molecular formula C7H6ClO3S- and a molecular weight of 205.64 g/mol. Its IUPAC name is (2-chloro-4-hydroxyphenyl)methanesulfinate.

Molecular Properties

Compound Name(2-chloro-4-hydroxyphenyl)methanesulfinate
PubChem CID174533594
Molecular FormulaC7H6ClO3S-
Molecular Weight205.64 g/mol
Exact Mass204.97
IUPAC Name(2-chloro-4-hydroxyphenyl)methanesulfinate
SMILESO=S([O-])Cc1ccc(O)cc1Cl
InChIInChI=1S/C7H7ClO3S/c8-7-3-6(9)2-1-5(7)4-12(10)11/h1-3,9H,4H2,(H,10,11)/p-1
InChIKeyLUGGVHTUTLTTEH-UHFFFAOYSA-M
XLogP1.42
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dihydroxyphenyl)methanesulfinate
CID 21183500
[4-(bromomethyl)-3-chlorophenyl]methanesulfinate
CID 174800176
4-(aminomethyl)-3-chlorophenol;dihydrochloride
CID 133059883
3-chloro-4-prop-2-enylphenol
CID 70565458
3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol
CID 10686994
3-chloro-4-[(dimethylamino)methyl]phenol
CID 58911429
[4-[(1R)-2-carboxy-1-cyclopentylethyl]-2-chlorophenyl]methanesulfinate
CID 174406761
(2-chloro-4-methylphenyl)methanesulfinic acid
CID 174497661
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716
3-chloro-4-(propan-2-ylsulfanylmethyl)phenol
CID 117219843
[2-chloro-4-[cyclopentyl(propanoyloxy)methyl]phenyl]methanesulfinate
CID 174372437
(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid
CID 174797793

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-hydroxyphenyl)methanesulfinate?
The IUPAC name of (2-chloro-4-hydroxyphenyl)methanesulfinate (CID 174533594) is (2-chloro-4-hydroxyphenyl)methanesulfinate.
What is the SMILES notation for (2-chloro-4-hydroxyphenyl)methanesulfinate?
The canonical SMILES for (2-chloro-4-hydroxyphenyl)methanesulfinate is O=S([O-])Cc1ccc(O)cc1Cl.
What is the InChIKey of (2-chloro-4-hydroxyphenyl)methanesulfinate?
The InChIKey is LUGGVHTUTLTTEH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7ClO3S/c8-7-3-6(9)2-1-5(7)4-12(10)11/h1-3,9H,4H2,(H,10,11)/p-1.
What are the key properties of (2-chloro-4-hydroxyphenyl)methanesulfinate?
(2-chloro-4-hydroxyphenyl)methanesulfinate has a molecular weight of 205.64 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-hydroxyphenyl)methanesulfinate is sourced from PubChem (CID 174533594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).