(2-methylthiolan-2-yl)-thiophen-3-ylmethanol

C10H14OS2 — CID 105102774

IUPAC(2-methylthiolan-2-yl)-thiophen-3-ylmethanol
SMILESCC1(C(O)c2ccsc2)CCCS1
InChIInChI=1S/C10H14OS2/c1-10(4-2-5-13-10)9(11)8-3-6-12-7-8/h3,6-7,9,11H,2,4-5H2,1H3
InChIKeyNOGHULQQIDUOKJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.07
Rot. Bonds2

About (2-methylthiolan-2-yl)-thiophen-3-ylmethanol

(2-methylthiolan-2-yl)-thiophen-3-ylmethanol (PubChem CID 105102774) has the molecular formula C10H14OS2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (2-methylthiolan-2-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(2-methylthiolan-2-yl)-thiophen-3-ylmethanol
PubChem CID105102774
Molecular FormulaC10H14OS2
Molecular Weight214.35 g/mol
Exact Mass214.05
IUPAC Name(2-methylthiolan-2-yl)-thiophen-3-ylmethanol
SMILESCC1(C(O)c2ccsc2)CCCS1
InChIInChI=1S/C10H14OS2/c1-10(4-2-5-13-10)9(11)8-3-6-12-7-8/h3,6-7,9,11H,2,4-5H2,1H3
InChIKeyNOGHULQQIDUOKJ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-methylthiolan-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105312067
(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 105095767
(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol
CID 105091741
(2-methyloxan-2-yl)-thiophen-3-ylmethanol
CID 80685803
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-thiophen-3-ylmethanol
CID 79135088
(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105079871
(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105094902
(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105397588
N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147773
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
CID 115805572
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375

Frequently Asked Questions

What is the IUPAC name of (2-methylthiolan-2-yl)-thiophen-3-ylmethanol?
The IUPAC name of (2-methylthiolan-2-yl)-thiophen-3-ylmethanol (CID 105102774) is (2-methylthiolan-2-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (2-methylthiolan-2-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (2-methylthiolan-2-yl)-thiophen-3-ylmethanol is CC1(C(O)c2ccsc2)CCCS1.
What is the InChIKey of (2-methylthiolan-2-yl)-thiophen-3-ylmethanol?
The InChIKey is NOGHULQQIDUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS2/c1-10(4-2-5-13-10)9(11)8-3-6-12-7-8/h3,6-7,9,11H,2,4-5H2,1H3.
What are the key properties of (2-methylthiolan-2-yl)-thiophen-3-ylmethanol?
(2-methylthiolan-2-yl)-thiophen-3-ylmethanol has a molecular weight of 214.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiolan-2-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 105102774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).