4-(3-methoxyphenyl)-1,3-dithiole-2-thione

C10H8OS3 — CID 134954448

IUPAC4-(3-methoxyphenyl)-1,3-dithiole-2-thione
SMILESCOc1cccc(-c2csc(=S)s2)c1
InChIInChI=1S/C10H8OS3/c1-11-8-4-2-3-7(5-8)9-6-13-10(12)14-9/h2-6H,1H3
InChIKeyLNDGSSFXSUJVBU-UHFFFAOYSA-N
MW240.37 g/mol
LogP4.21
Rot. Bonds2

About 4-(3-methoxyphenyl)-1,3-dithiole-2-thione

4-(3-methoxyphenyl)-1,3-dithiole-2-thione (PubChem CID 134954448) has the molecular formula C10H8OS3 and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,3-dithiole-2-thione.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,3-dithiole-2-thione
PubChem CID134954448
Molecular FormulaC10H8OS3
Molecular Weight240.37 g/mol
Exact Mass239.97
IUPAC Name4-(3-methoxyphenyl)-1,3-dithiole-2-thione
SMILESCOc1cccc(-c2csc(=S)s2)c1
InChIInChI=1S/C10H8OS3/c1-11-8-4-2-3-7(5-8)9-6-13-10(12)14-9/h2-6H,1H3
InChIKeyLNDGSSFXSUJVBU-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 54.21
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

azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2,5-bis(3-methoxyphenyl)-3-methylthiophene
CID 123497172
2-ethynyl-5-(3-methoxyphenyl)thiophene
CID 146676306
5-(3-methoxyphenyl)thiophene-2-carbonitrile
CID 82078599
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
3-(3-methoxyphenyl)-2,5-diphenylthiophene
CID 86108193
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene
CID 44543110
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031
2-(3-methoxyphenyl)-5-(4-methoxy-3-phenylphenyl)thiophene
CID 44542351

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1,3-dithiole-2-thione?
The IUPAC name of 4-(3-methoxyphenyl)-1,3-dithiole-2-thione (CID 134954448) is 4-(3-methoxyphenyl)-1,3-dithiole-2-thione.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,3-dithiole-2-thione?
The canonical SMILES for 4-(3-methoxyphenyl)-1,3-dithiole-2-thione is COc1cccc(-c2csc(=S)s2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1,3-dithiole-2-thione?
The InChIKey is LNDGSSFXSUJVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS3/c1-11-8-4-2-3-7(5-8)9-6-13-10(12)14-9/h2-6H,1H3.
What are the key properties of 4-(3-methoxyphenyl)-1,3-dithiole-2-thione?
4-(3-methoxyphenyl)-1,3-dithiole-2-thione has a molecular weight of 240.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1,3-dithiole-2-thione is sourced from PubChem (CID 134954448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).