2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan

C11H14O3S3 — CID 156778101

IUPAC2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan
SMILESC=CCSSC=CCS(=O)(=O)Cc1ccco1
InChIInChI=1S/C11H14O3S3/c1-2-7-15-16-8-4-9-17(12,13)10-11-5-3-6-14-11/h2-6,8H,1,7,9-10H2
InChIKeySFPMHGZITJZRGY-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.28
Rot. Bonds8

About 2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan

2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan (PubChem CID 156778101) has the molecular formula C11H14O3S3 and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan.

Molecular Properties

Compound Name2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan
PubChem CID156778101
Molecular FormulaC11H14O3S3
Molecular Weight290.43 g/mol
Exact Mass290.01
IUPAC Name2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan
SMILESC=CCSSC=CCS(=O)(=O)Cc1ccco1
InChIInChI=1S/C11H14O3S3/c1-2-7-15-16-8-4-9-17(12,13)10-11-5-3-6-14-11/h2-6,8H,1,7,9-10H2
InChIKeySFPMHGZITJZRGY-UHFFFAOYSA-N
XLogP3.28
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan?
The IUPAC name of 2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan (CID 156778101) is 2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan.
What is the SMILES notation for 2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan?
The canonical SMILES for 2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan is C=CCSSC=CCS(=O)(=O)Cc1ccco1.
What is the InChIKey of 2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan?
The InChIKey is SFPMHGZITJZRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S3/c1-2-7-15-16-8-4-9-17(12,13)10-11-5-3-6-14-11/h2-6,8H,1,7,9-10H2.
What are the key properties of 2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan?
2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan has a molecular weight of 290.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(prop-2-enyldisulfanyl)prop-2-enylsulfonylmethyl]furan is sourced from PubChem (CID 156778101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).