ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate

C14H12O2S2 — CID 141352577

IUPACethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate
SMILESCCOC(=O)c1cc2c(s1)-c1ccccc1SC2
InChIInChI=1S/C14H12O2S2/c1-2-16-14(15)12-7-9-8-17-11-6-4-3-5-10(11)13(9)18-12/h3-7H,2,8H2,1H3
InChIKeyOXQYUBXJPHJEBM-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.20
Rot. Bonds2

About ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate

ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate (PubChem CID 141352577) has the molecular formula C14H12O2S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate
PubChem CID141352577
Molecular FormulaC14H12O2S2
Molecular Weight276.38 g/mol
Exact Mass276.03
IUPAC Nameethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate
SMILESCCOC(=O)c1cc2c(s1)-c1ccccc1SC2
InChIInChI=1S/C14H12O2S2/c1-2-16-14(15)12-7-9-8-17-11-6-4-3-5-10(11)13(9)18-12/h3-7H,2,8H2,1H3
InChIKeyOXQYUBXJPHJEBM-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate
CID 166137482
N-benzyl-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889018
N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 46261423
ethyl 6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylate
CID 130248446
N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 6623288
ethyl 8-amino-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 23117358
8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 137369719
N-(4-chlorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 20889036
ethyl 6-thiabicyclo[3.2.1]octa-1(8),2,4-triene-8-carboxylate
CID 142647601
8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
CID 137369706
N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 46261424
ethyl (2E)-2-(4H-thieno[3,2-c][1]benzothiepin-10-ylidene)acetate
CID 10425023

Frequently Asked Questions

What is the IUPAC name of ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate?
The IUPAC name of ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate (CID 141352577) is ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate.
What is the SMILES notation for ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate?
The canonical SMILES for ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate is CCOC(=O)c1cc2c(s1)-c1ccccc1SC2.
What is the InChIKey of ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate?
The InChIKey is OXQYUBXJPHJEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S2/c1-2-16-14(15)12-7-9-8-17-11-6-4-3-5-10(11)13(9)18-12/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate?
ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate is sourced from PubChem (CID 141352577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).