(2-prop-1-enylphenyl) sulfite

C9H9O3S- — CID 175142928

IUPAC(2-prop-1-enylphenyl) sulfite
SMILESCC=Cc1ccccc1OS(=O)[O-]
InChIInChI=1S/C9H10O3S/c1-2-5-8-6-3-4-7-9(8)12-13(10)11/h2-7H,1H3,(H,10,11)/p-1
InChIKeyWOTCGTYCAMXPNA-UHFFFAOYSA-M
MW197.24 g/mol
LogP1.89
Rot. Bonds3

About (2-prop-1-enylphenyl) sulfite

(2-prop-1-enylphenyl) sulfite (PubChem CID 175142928) has the molecular formula C9H9O3S- and a molecular weight of 197.24 g/mol. Its IUPAC name is (2-prop-1-enylphenyl) sulfite.

Molecular Properties

Compound Name(2-prop-1-enylphenyl) sulfite
PubChem CID175142928
Molecular FormulaC9H9O3S-
Molecular Weight197.24 g/mol
Exact Mass197.03
IUPAC Name(2-prop-1-enylphenyl) sulfite
SMILESCC=Cc1ccccc1OS(=O)[O-]
InChIInChI=1S/C9H10O3S/c1-2-5-8-6-3-4-7-9(8)12-13(10)11/h2-7H,1H3,(H,10,11)/p-1
InChIKeyWOTCGTYCAMXPNA-UHFFFAOYSA-M
XLogP1.89
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;[2-[(E)-2-[4-[4-[(E)-2-(2-sulfinatooxyphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl] sulfite
CID 58517350
bis(2-prop-1-enylphenyl) sulfate
CID 54305499
sodium (2-aminophenyl) sulfite
CID 156780353
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
1-[4-[2-[(Z)-prop-1-enyl]phenoxy]phenyl]ethanone
CID 126685866
1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene
CID 131866211
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
4-(2-prop-1-enylphenoxy)but-2-enoic acid
CID 76940552
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
phenyl sulfite
CID 14972829
1-(4-methylphenyl)-2-(2-prop-1-enylphenoxy)propan-1-one
CID 76999449

Frequently Asked Questions

What is the IUPAC name of (2-prop-1-enylphenyl) sulfite?
The IUPAC name of (2-prop-1-enylphenyl) sulfite (CID 175142928) is (2-prop-1-enylphenyl) sulfite.
What is the SMILES notation for (2-prop-1-enylphenyl) sulfite?
The canonical SMILES for (2-prop-1-enylphenyl) sulfite is CC=Cc1ccccc1OS(=O)[O-].
What is the InChIKey of (2-prop-1-enylphenyl) sulfite?
The InChIKey is WOTCGTYCAMXPNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3S/c1-2-5-8-6-3-4-7-9(8)12-13(10)11/h2-7H,1H3,(H,10,11)/p-1.
What are the key properties of (2-prop-1-enylphenyl) sulfite?
(2-prop-1-enylphenyl) sulfite has a molecular weight of 197.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-1-enylphenyl) sulfite is sourced from PubChem (CID 175142928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).