1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol

C8H12N2OS3 — CID 130550371

IUPAC1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1csnn1)C1CSCCS1
InChIInChI=1S/C8H12N2OS3/c11-7(3-6-4-14-10-9-6)8-5-12-1-2-13-8/h4,7-8,11H,1-3,5H2
InChIKeyXHAZHEHSFWKYMQ-UHFFFAOYSA-N
MW248.40 g/mol
LogP1.29
Rot. Bonds3

About 1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol

1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol (PubChem CID 130550371) has the molecular formula C8H12N2OS3 and a molecular weight of 248.40 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol
PubChem CID130550371
Molecular FormulaC8H12N2OS3
Molecular Weight248.40 g/mol
Exact Mass248.01
IUPAC Name1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1csnn1)C1CSCCS1
InChIInChI=1S/C8H12N2OS3/c11-7(3-6-4-14-10-9-6)8-5-12-1-2-13-8/h4,7-8,11H,1-3,5H2
InChIKeyXHAZHEHSFWKYMQ-UHFFFAOYSA-N
XLogP1.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol?
The IUPAC name of 1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol (CID 130550371) is 1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol?
The canonical SMILES for 1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol is OC(Cc1csnn1)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol?
The InChIKey is XHAZHEHSFWKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS3/c11-7(3-6-4-14-10-9-6)8-5-12-1-2-13-8/h4,7-8,11H,1-3,5H2.
What are the key properties of 1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol?
1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol has a molecular weight of 248.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-2-(thiadiazol-4-yl)ethanol is sourced from PubChem (CID 130550371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).