4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide

C17H20O2S2 — CID 6426079

IUPAC4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide
SMILESC=CCC1(CC=C)C(C)=C(Sc2ccccc2)CS1(=O)=O
InChIInChI=1S/C17H20O2S2/c1-4-11-17(12-5-2)14(3)16(13-21(17,18)19)20-15-9-7-6-8-10-15/h4-10H,1-2,11-13H2,3H3
InChIKeyFHKZJGSZDUEGEN-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.37
Rot. Bonds6

About 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide

4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide (PubChem CID 6426079) has the molecular formula C17H20O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide
PubChem CID6426079
Molecular FormulaC17H20O2S2
Molecular Weight320.48 g/mol
Exact Mass320.09
IUPAC Name4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide
SMILESC=CCC1(CC=C)C(C)=C(Sc2ccccc2)CS1(=O)=O
InChIInChI=1S/C17H20O2S2/c1-4-11-17(12-5-2)14(3)16(13-21(17,18)19)20-15-9-7-6-8-10-15/h4-10H,1-2,11-13H2,3H3
InChIKeyFHKZJGSZDUEGEN-UHFFFAOYSA-N
XLogP4.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide 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-methyl-4-phenylsulfanyl-2,5-dihydrothiophene 1,1-dioxide
CID 13380169
(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane
CID 11011979
(2S,3R,5S)-2,5-dimethyl-3-phenylsulfanyl-2-prop-2-enyloxolane
CID 100944567
(4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene
CID 24977178
3,5,5-trimethyl-2-(phenylsulfanylmethyl)cyclohex-2-en-1-one
CID 15673983
ethane;methanol;methyl 2-(4,5-dimethyl-2-phenylsulfanylcyclohexa-1,4-dien-1-yl)prop-2-enoate
CID 158318840
1-methyl-4-(2-phenylsulfanylcyclobuten-1-yl)benzene
CID 10377541
ethanethiol;phenylsulfanylbenzene
CID 174826904
N-benzyl-N-methylsulfonyl-2,2-dioxo-1-prop-2-enyl-3H-2-benzothiophene-1-carboxamide
CID 162415417
(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
CID 12584652
CID 66690055
CID 66690055
[(5E)-hepta-1,5-dien-4-yl]sulfanylbenzene
CID 10632029

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide?
The IUPAC name of 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide (CID 6426079) is 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide.
What is the SMILES notation for 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide?
The canonical SMILES for 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide is C=CCC1(CC=C)C(C)=C(Sc2ccccc2)CS1(=O)=O.
What is the InChIKey of 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide?
The InChIKey is FHKZJGSZDUEGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S2/c1-4-11-17(12-5-2)14(3)16(13-21(17,18)19)20-15-9-7-6-8-10-15/h4-10H,1-2,11-13H2,3H3.
What are the key properties of 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide?
4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide has a molecular weight of 320.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenylsulfanyl-5,5-bis(prop-2-enyl)-2H-thiophene 1,1-dioxide is sourced from PubChem (CID 6426079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).