2-phenylsulfanyl-3-prop-2-enylthiophene

C13H12S2 — CID 102213071

IUPAC2-phenylsulfanyl-3-prop-2-enylthiophene
SMILESC=CCc1ccsc1Sc1ccccc1
InChIInChI=1S/C13H12S2/c1-2-6-11-9-10-14-13(11)15-12-7-4-3-5-8-12/h2-5,7-10H,1,6H2
InChIKeyUOYBYDPRMXSHBC-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.63
Rot. Bonds4

About 2-phenylsulfanyl-3-prop-2-enylthiophene

2-phenylsulfanyl-3-prop-2-enylthiophene (PubChem CID 102213071) has the molecular formula C13H12S2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-phenylsulfanyl-3-prop-2-enylthiophene.

Molecular Properties

Compound Name2-phenylsulfanyl-3-prop-2-enylthiophene
PubChem CID102213071
Molecular FormulaC13H12S2
Molecular Weight232.37 g/mol
Exact Mass232.04
IUPAC Name2-phenylsulfanyl-3-prop-2-enylthiophene
SMILESC=CCc1ccsc1Sc1ccccc1
InChIInChI=1S/C13H12S2/c1-2-6-11-9-10-14-13(11)15-12-7-4-3-5-8-12/h2-5,7-10H,1,6H2
InChIKeyUOYBYDPRMXSHBC-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enylthiophen-2-ol
CID 69448623
2,3-dibenzyl-4-prop-2-enylthiophene
CID 90003095
3-prop-2-enylthiophene-2-carbothialdehyde
CID 88603727
6-prop-2-enylthieno[3,2-b]thiophene
CID 67089338
phosphane;prop-2-enylbenzene
CID 87328808
3-ethyl-2-prop-2-enylthiophene
CID 139649672
4-phenylsulfanyl-5-prop-2-enyl-1H-imidazole
CID 135037685
prop-2-enylbenzene
CID 159998516
1-methyl-3-phenylsulfanyl-2-prop-2-enylindole
CID 134960351
5-methoxy-4-phenylsulfanyl-6-prop-2-enyl-1,3-benzodioxole
CID 71498929
CID 173215164
CID 173215164
prop-2-enylbenzene;dihydrochloride
CID 174768742

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-3-prop-2-enylthiophene?
The IUPAC name of 2-phenylsulfanyl-3-prop-2-enylthiophene (CID 102213071) is 2-phenylsulfanyl-3-prop-2-enylthiophene.
What is the SMILES notation for 2-phenylsulfanyl-3-prop-2-enylthiophene?
The canonical SMILES for 2-phenylsulfanyl-3-prop-2-enylthiophene is C=CCc1ccsc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-3-prop-2-enylthiophene?
The InChIKey is UOYBYDPRMXSHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12S2/c1-2-6-11-9-10-14-13(11)15-12-7-4-3-5-8-12/h2-5,7-10H,1,6H2.
What are the key properties of 2-phenylsulfanyl-3-prop-2-enylthiophene?
2-phenylsulfanyl-3-prop-2-enylthiophene has a molecular weight of 232.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-3-prop-2-enylthiophene is sourced from PubChem (CID 102213071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).