(3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol

C11H16OS3 — CID 115386492

IUPAC(3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol
SMILESCCC1SCCSC1C(O)c1ccsc1
InChIInChI=1S/C11H16OS3/c1-2-9-11(15-6-5-14-9)10(12)8-3-4-13-7-8/h3-4,7,9-12H,2,5-6H2,1H3
InChIKeyJJXGSDUPICMSPF-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.41
Rot. Bonds3

About (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol

(3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol (PubChem CID 115386492) has the molecular formula C11H16OS3 and a molecular weight of 260.45 g/mol. Its IUPAC name is (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol
PubChem CID115386492
Molecular FormulaC11H16OS3
Molecular Weight260.45 g/mol
Exact Mass260.04
IUPAC Name(3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol
SMILESCCC1SCCSC1C(O)c1ccsc1
InChIInChI=1S/C11H16OS3/c1-2-9-11(15-6-5-14-9)10(12)8-3-4-13-7-8/h3-4,7,9-12H,2,5-6H2,1H3
InChIKeyJJXGSDUPICMSPF-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1,4-dithian-2-yl)methanol
CID 104542458
N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine
CID 113299739
(3-ethyl-1,4-dithian-2-yl)-(4-methylphenyl)methanamine
CID 115387500
1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115386540
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
CID 115805572
(2,5-dimethoxyphenyl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 115386537
(4-chloro-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 114645209
1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115386438
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102833588
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 114645203
3-[2-amino-2-(3-ethyl-1,4-dithian-2-yl)ethyl]phenol
CID 115387483
(3-ethyl-1,4-dithian-2-yl)-(3-methylphenyl)methanamine
CID 113299656

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol?
The IUPAC name of (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol (CID 115386492) is (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol is CCC1SCCSC1C(O)c1ccsc1.
What is the InChIKey of (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol?
The InChIKey is JJXGSDUPICMSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS3/c1-2-9-11(15-6-5-14-9)10(12)8-3-4-13-7-8/h3-4,7,9-12H,2,5-6H2,1H3.
What are the key properties of (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol?
(3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol has a molecular weight of 260.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,4-dithian-2-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 115386492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).