4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol

C10H14OS2 — CID 130520190

IUPAC4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol
SMILESCC1CSCC1(O)Cc1ccsc1
InChIInChI=1S/C10H14OS2/c1-8-5-13-7-10(8,11)4-9-2-3-12-6-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyKLABXFSNVJPTTG-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.40
Rot. Bonds2

About 4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol

4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol (PubChem CID 130520190) has the molecular formula C10H14OS2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol.

Molecular Properties

Compound Name4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol
PubChem CID130520190
Molecular FormulaC10H14OS2
Molecular Weight214.35 g/mol
Exact Mass214.05
IUPAC Name4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol
SMILESCC1CSCC1(O)Cc1ccsc1
InChIInChI=1S/C10H14OS2/c1-8-5-13-7-10(8,11)4-9-2-3-12-6-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyKLABXFSNVJPTTG-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(thiophen-3-ylmethyl)piperidin-4-ol
CID 114510452
3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene
CID 164652404
2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine
CID 164646247
2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine
CID 114535442
[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 114534046
4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 62621420
5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 80562844
3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208
4-methyl-4-(thiophen-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 164646285
[1-(thiophen-3-ylmethyl)cyclopentyl]methanol
CID 66025022
1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid
CID 66025291
6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 79374000

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol?
The IUPAC name of 4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol (CID 130520190) is 4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol.
What is the SMILES notation for 4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol?
The canonical SMILES for 4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol is CC1CSCC1(O)Cc1ccsc1.
What is the InChIKey of 4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol?
The InChIKey is KLABXFSNVJPTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS2/c1-8-5-13-7-10(8,11)4-9-2-3-12-6-9/h2-3,6,8,11H,4-5,7H2,1H3.
What are the key properties of 4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol?
4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol has a molecular weight of 214.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol is sourced from PubChem (CID 130520190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).