(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol

C10H12O3S — CID 64988118

IUPAC(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
SMILESCSc1cc2c(cc1CO)OCCO2
InChIInChI=1S/C10H12O3S/c1-14-10-5-9-8(4-7(10)6-11)12-2-3-13-9/h4-5,11H,2-3,6H2,1H3
InChIKeyPKBBXGHTAVUMNC-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.67
Rot. Bonds2

About (6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol

(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (PubChem CID 64988118) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is (6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol.

Molecular Properties

Compound Name(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
PubChem CID64988118
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
SMILESCSc1cc2c(cc1CO)OCCO2
InChIInChI=1S/C10H12O3S/c1-14-10-5-9-8(4-7(10)6-11)12-2-3-13-9/h4-5,11H,2-3,6H2,1H3
InChIKeyPKBBXGHTAVUMNC-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

2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
CID 117353201
N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 82685055
2-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]ethanol
CID 64989579
(2S)-2-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol
CID 104980856
2-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid
CID 64988447
3-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propane-1,2-diol
CID 66177597
2,2-dimethyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117453858
3-methyl-N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]oxolan-3-amine
CID 115768675
3-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide
CID 64988787
N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]oxan-4-amine
CID 64988294
1-cyclopropyl-N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 64988538
3,3,3-trifluoro-N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]propan-1-amine
CID 64988204

Frequently Asked Questions

What is the IUPAC name of (6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The IUPAC name of (6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (CID 64988118) is (6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol.
What is the SMILES notation for (6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The canonical SMILES for (6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol is CSc1cc2c(cc1CO)OCCO2.
What is the InChIKey of (6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The InChIKey is PKBBXGHTAVUMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-14-10-5-9-8(4-7(10)6-11)12-2-3-13-9/h4-5,11H,2-3,6H2,1H3.
What are the key properties of (6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-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 (6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol is sourced from PubChem (CID 64988118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).