(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol

C10H14O2S2 — CID 102831462

IUPAC(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol
SMILESCc1sccc1C(O)C1CSCCO1
InChIInChI=1S/C10H14O2S2/c1-7-8(2-4-14-7)10(11)9-6-13-5-3-12-9/h2,4,9-11H,3,5-6H2,1H3
InChIKeyTVVRVCADDDHOMC-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.22
Rot. Bonds2

About (2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol

(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol (PubChem CID 102831462) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol
PubChem CID102831462
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Name(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol
SMILESCc1sccc1C(O)C1CSCCO1
InChIInChI=1S/C10H14O2S2/c1-7-8(2-4-14-7)10(11)9-6-13-5-3-12-9/h2,4,9-11H,3,5-6H2,1H3
InChIKeyTVVRVCADDDHOMC-UHFFFAOYSA-N
XLogP2.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol?
The IUPAC name of (2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol (CID 102831462) is (2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol?
The canonical SMILES for (2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol is Cc1sccc1C(O)C1CSCCO1.
What is the InChIKey of (2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol?
The InChIKey is TVVRVCADDDHOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-7-8(2-4-14-7)10(11)9-6-13-5-3-12-9/h2,4,9-11H,3,5-6H2,1H3.
What are the key properties of (2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol?
(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol has a molecular weight of 230.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 102831462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).