(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol

C10H12O3S — CID 117303095

IUPAC(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESCSc1c(CO)ccc2c1OCCO2
InChIInChI=1S/C10H12O3S/c1-14-10-7(6-11)2-3-8-9(10)13-5-4-12-8/h2-3,11H,4-6H2,1H3
InChIKeyQZGZALIIRZYGFE-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.67
Rot. Bonds2

About (5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol

(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol (PubChem CID 117303095) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is (5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol.

Molecular Properties

Compound Name(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
PubChem CID117303095
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESCSc1c(CO)ccc2c1OCCO2
InChIInChI=1S/C10H12O3S/c1-14-10-7(6-11)2-3-8-9(10)13-5-4-12-8/h2-3,11H,4-6H2,1H3
InChIKeyQZGZALIIRZYGFE-UHFFFAOYSA-N
XLogP1.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117353690
6-(isocyanatomethyl)-5-methylsulfanyl-2,3-dihydro-1,4-benzodioxine
CID 117346568
(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117289542
ethyl 2-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetate
CID 117453550
3-amino-3-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117426583
(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 64988118
2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117297595
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117302751
4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117418008
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508
2-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 117381903

Frequently Asked Questions

What is the IUPAC name of (5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The IUPAC name of (5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol (CID 117303095) is (5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol.
What is the SMILES notation for (5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The canonical SMILES for (5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol is CSc1c(CO)ccc2c1OCCO2.
What is the InChIKey of (5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The InChIKey is QZGZALIIRZYGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-14-10-7(6-11)2-3-8-9(10)13-5-4-12-8/h2-3,11H,4-6H2,1H3.
What are the key properties of (5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol has a molecular weight of 212.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol is sourced from PubChem (CID 117303095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).