2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole

C8H9NOS — CID 142926146

IUPAC2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole
SMILESCSC1Nc2ccccc2O1
InChIInChI=1S/C8H9NOS/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5,8-9H,1H3
InChIKeyMSKMAJZVEPAOGU-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.14
Rot. Bonds1

About 2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole

2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole (PubChem CID 142926146) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole
PubChem CID142926146
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole
SMILESCSC1Nc2ccccc2O1
InChIInChI=1S/C8H9NOS/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5,8-9H,1H3
InChIKeyMSKMAJZVEPAOGU-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2,3-dihydro-1,3-benzoxazole
CID 55303047
2-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
CID 66584986
N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine
CID 13004329
(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
CID 84618456
(5aS,11aR)-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 54857340
1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825472
2-amino-4H-1,4-benzoxazin-3-one
CID 10607101
3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide
CID 84624877
2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one
CID 116990876
3-chloro-4-[(2S)-2,3-dihydro-1,3-benzoxazol-2-yl]-N,N-dimethylaniline
CID 6929827
2-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 154211449
ethane;2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 90923836

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole (CID 142926146) is 2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole is CSC1Nc2ccccc2O1.
What is the InChIKey of 2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole?
The InChIKey is MSKMAJZVEPAOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5,8-9H,1H3.
What are the key properties of 2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole?
2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole has a molecular weight of 167.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 142926146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).