3-(4-methoxyphenyl)-5-sulfinyldithiole

C10H8O2S3 — CID 15066987

IUPAC3-(4-methoxyphenyl)-5-sulfinyldithiole
SMILESCOc1ccc(-c2cc(=S=O)ss2)cc1
InChIInChI=1S/C10H8O2S3/c1-12-8-4-2-7(3-5-8)9-6-10(13-11)15-14-9/h2-6H,1H3
InChIKeyRJQMKIIYNAHIHP-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.23
Rot. Bonds2

About 3-(4-methoxyphenyl)-5-sulfinyldithiole

3-(4-methoxyphenyl)-5-sulfinyldithiole (PubChem CID 15066987) has the molecular formula C10H8O2S3 and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-sulfinyldithiole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-sulfinyldithiole
PubChem CID15066987
Molecular FormulaC10H8O2S3
Molecular Weight256.37 g/mol
Exact Mass255.97
IUPAC Name3-(4-methoxyphenyl)-5-sulfinyldithiole
SMILESCOc1ccc(-c2cc(=S=O)ss2)cc1
InChIInChI=1S/C10H8O2S3/c1-12-8-4-2-7(3-5-8)9-6-10(13-11)15-14-9/h2-6H,1H3
InChIKeyRJQMKIIYNAHIHP-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)dithiole-3-thione
CID 2194
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
5-(4-methoxyphenyl)thieno[3,2-b]thiophene
CID 135070727
5,6-bis(4-methoxyphenyl)tetrathiine
CID 102027357
2-(4-methoxyphenyl)thieno[3,2-e][1]benzothiole-7-carbaldehyde
CID 102590208
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
7-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazin-5-one
CID 5306841
tetrakis(4-methoxyphenyl)plumbane
CID 5092827
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
2,5-bis[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]thiophene
CID 102235498

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-sulfinyldithiole?
The IUPAC name of 3-(4-methoxyphenyl)-5-sulfinyldithiole (CID 15066987) is 3-(4-methoxyphenyl)-5-sulfinyldithiole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-sulfinyldithiole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-sulfinyldithiole is COc1ccc(-c2cc(=S=O)ss2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-sulfinyldithiole?
The InChIKey is RJQMKIIYNAHIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S3/c1-12-8-4-2-7(3-5-8)9-6-10(13-11)15-14-9/h2-6H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-sulfinyldithiole?
3-(4-methoxyphenyl)-5-sulfinyldithiole has a molecular weight of 256.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-sulfinyldithiole is sourced from PubChem (CID 15066987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).