1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one

C14H10O2S3 — CID 70039738

IUPAC1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one
SMILESC=CC(=O)c1ccsc1Sc1sccc1C(=O)C=C
InChIInChI=1S/C14H10O2S3/c1-3-11(15)9-5-7-17-13(9)19-14-10(6-8-18-14)12(16)4-2/h3-8H,1-2H2
InChIKeyYEWGHVUYXOZQJG-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.70
Rot. Bonds6

About 1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one

1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one (PubChem CID 70039738) has the molecular formula C14H10O2S3 and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one
PubChem CID70039738
Molecular FormulaC14H10O2S3
Molecular Weight306.43 g/mol
Exact Mass305.98
IUPAC Name1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one
SMILESC=CC(=O)c1ccsc1Sc1sccc1C(=O)C=C
InChIInChI=1S/C14H10O2S3/c1-3-11(15)9-5-7-17-13(9)19-14-10(6-8-18-14)12(16)4-2/h3-8H,1-2H2
InChIKeyYEWGHVUYXOZQJG-UHFFFAOYSA-N
XLogP4.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one (CID 70039738) is 1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one is C=CC(=O)c1ccsc1Sc1sccc1C(=O)C=C.
What is the InChIKey of 1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one?
The InChIKey is YEWGHVUYXOZQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S3/c1-3-11(15)9-5-7-17-13(9)19-14-10(6-8-18-14)12(16)4-2/h3-8H,1-2H2.
What are the key properties of 1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one?
1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one has a molecular weight of 306.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-prop-2-enoylthiophen-2-yl)sulfanylthiophen-3-yl]prop-2-en-1-one is sourced from PubChem (CID 70039738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).