[3-(hydroxymethyl)phenyl] thiohypochlorite

C7H7ClOS — CID 87965479

IUPAC[3-(hydroxymethyl)phenyl] thiohypochlorite
SMILESOCc1cccc(SCl)c1
InChIInChI=1S/C7H7ClOS/c8-10-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKeyBKTWLXPVYLTERL-UHFFFAOYSA-N
MW174.65 g/mol
LogP2.42
Rot. Bonds2

About [3-(hydroxymethyl)phenyl] thiohypochlorite

[3-(hydroxymethyl)phenyl] thiohypochlorite (PubChem CID 87965479) has the molecular formula C7H7ClOS and a molecular weight of 174.65 g/mol. Its IUPAC name is [3-(hydroxymethyl)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[3-(hydroxymethyl)phenyl] thiohypochlorite
PubChem CID87965479
Molecular FormulaC7H7ClOS
Molecular Weight174.65 g/mol
Exact Mass173.99
IUPAC Name[3-(hydroxymethyl)phenyl] thiohypochlorite
SMILESOCc1cccc(SCl)c1
InChIInChI=1S/C7H7ClOS/c8-10-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKeyBKTWLXPVYLTERL-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.65
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
CID 66347194
(3-pentylsulfanylphenyl)methanol
CID 66347769
(3-cyclohexylsulfanylphenyl)methanol
CID 66348157
(3-pentan-2-ylsulfanylphenyl)methanol
CID 107887985
(3-pent-4-enylsulfanylphenyl)methanol
CID 66347975
[3-[(2-chloro-4-fluorophenyl)methylsulfanyl]phenyl]methanol
CID 66348940
methyl 3-[3-(hydroxymethyl)phenyl]sulfanylpropanoate
CID 66347189
[3-(3-methylsulfonylpropylsulfanyl)phenyl]methanol
CID 66346984
[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol
CID 106931186
N,N-diethyl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347576
N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347205
4-[3-(hydroxymethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349537

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)phenyl] thiohypochlorite?
The IUPAC name of [3-(hydroxymethyl)phenyl] thiohypochlorite (CID 87965479) is [3-(hydroxymethyl)phenyl] thiohypochlorite.
What is the SMILES notation for [3-(hydroxymethyl)phenyl] thiohypochlorite?
The canonical SMILES for [3-(hydroxymethyl)phenyl] thiohypochlorite is OCc1cccc(SCl)c1.
What is the InChIKey of [3-(hydroxymethyl)phenyl] thiohypochlorite?
The InChIKey is BKTWLXPVYLTERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClOS/c8-10-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2.
What are the key properties of [3-(hydroxymethyl)phenyl] thiohypochlorite?
[3-(hydroxymethyl)phenyl] thiohypochlorite has a molecular weight of 174.65 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)phenyl] thiohypochlorite is sourced from PubChem (CID 87965479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).