(2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide

C14H10O2S3 — CID 22845216

IUPAC(2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide
SMILESO=S1(=O)/C(=C\c2cccs2)C=C/C1=C\c1cccs1
InChIInChI=1S/C14H10O2S3/c15-19(16)13(9-11-3-1-7-17-11)5-6-14(19)10-12-4-2-8-18-12/h1-10H/b13-9-,14-10+
InChIKeyQQZUGORYRSRFTA-ZKLMZBBOSA-N
MW306.43 g/mol
LogP4.18
Rot. Bonds2

About (2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide

(2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide (PubChem CID 22845216) has the molecular formula C14H10O2S3 and a molecular weight of 306.43 g/mol. Its IUPAC name is (2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide.

Molecular Properties

Compound Name(2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide
PubChem CID22845216
Molecular FormulaC14H10O2S3
Molecular Weight306.43 g/mol
Exact Mass305.98
IUPAC Name(2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide
SMILESO=S1(=O)/C(=C\c2cccs2)C=C/C1=C\c1cccs1
InChIInChI=1S/C14H10O2S3/c15-19(16)13(9-11-3-1-7-17-11)5-6-14(19)10-12-4-2-8-18-12/h1-10H/b13-9-,14-10+
InChIKeyQQZUGORYRSRFTA-ZKLMZBBOSA-N
XLogP4.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide?
The IUPAC name of (2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide (CID 22845216) is (2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide.
What is the SMILES notation for (2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide?
The canonical SMILES for (2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide is O=S1(=O)/C(=C\c2cccs2)C=C/C1=C\c1cccs1.
What is the InChIKey of (2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide?
The InChIKey is QQZUGORYRSRFTA-ZKLMZBBOSA-N. The full InChI is InChI=1S/C14H10O2S3/c15-19(16)13(9-11-3-1-7-17-11)5-6-14(19)10-12-4-2-8-18-12/h1-10H/b13-9-,14-10+.
What are the key properties of (2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide?
(2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide has a molecular weight of 306.43 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2,5-bis(thiophen-2-ylmethylidene)thiophene 1,1-dioxide is sourced from PubChem (CID 22845216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).