(2,3,5,6-tetramethylphenyl) hydrogen sulfite

C10H14O3S — CID 174619085

IUPAC(2,3,5,6-tetramethylphenyl) hydrogen sulfite
SMILESCc1cc(C)c(C)c(OS(=O)O)c1C
InChIInChI=1S/C10H14O3S/c1-6-5-7(2)9(4)10(8(6)3)13-14(11)12/h5H,1-4H3,(H,11,12)
InChIKeyFUKAEZKFTASQJQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.44
Rot. Bonds2

About (2,3,5,6-tetramethylphenyl) hydrogen sulfite

(2,3,5,6-tetramethylphenyl) hydrogen sulfite (PubChem CID 174619085) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is (2,3,5,6-tetramethylphenyl) hydrogen sulfite.

Molecular Properties

Compound Name(2,3,5,6-tetramethylphenyl) hydrogen sulfite
PubChem CID174619085
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name(2,3,5,6-tetramethylphenyl) hydrogen sulfite
SMILESCc1cc(C)c(C)c(OS(=O)O)c1C
InChIInChI=1S/C10H14O3S/c1-6-5-7(2)9(4)10(8(6)3)13-14(11)12/h5H,1-4H3,(H,11,12)
InChIKeyFUKAEZKFTASQJQ-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,3,5,6-tetramethylphenyl) hydrogen sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroperoxy-1,2,4,5-tetramethylbenzene
CID 88709611
(5-amino-2,4-dimethylphenyl) hydrogen sulfite
CID 174701620
(2,3,5,6-tetramethylphenyl) hypoiodite
CID 88590021
CID 175557978
CID 175557978
phosphono (2,3,5,6-tetramethylphenyl) hydrogen phosphate
CID 176890323
2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
CID 116963118
N-methyl-2-(2,3,5,6-tetramethylphenoxy)acetamide
CID 894749
formaldehyde;1,2,3,4,5-pentamethylbenzene
CID 162197138
3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
CID 116962917
methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
CID 115190424
(2-ethyl-3-methylphenyl) hydrogen sulfite
CID 68928017

Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetramethylphenyl) hydrogen sulfite?
The IUPAC name of (2,3,5,6-tetramethylphenyl) hydrogen sulfite (CID 174619085) is (2,3,5,6-tetramethylphenyl) hydrogen sulfite.
What is the SMILES notation for (2,3,5,6-tetramethylphenyl) hydrogen sulfite?
The canonical SMILES for (2,3,5,6-tetramethylphenyl) hydrogen sulfite is Cc1cc(C)c(C)c(OS(=O)O)c1C.
What is the InChIKey of (2,3,5,6-tetramethylphenyl) hydrogen sulfite?
The InChIKey is FUKAEZKFTASQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-6-5-7(2)9(4)10(8(6)3)13-14(11)12/h5H,1-4H3,(H,11,12).
What are the key properties of (2,3,5,6-tetramethylphenyl) hydrogen sulfite?
(2,3,5,6-tetramethylphenyl) hydrogen sulfite has a molecular weight of 214.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetramethylphenyl) hydrogen sulfite is sourced from PubChem (CID 174619085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).