2-sulfanyl-3H-1,2-benzoxazole

C7H7NOS — CID 19388214

IUPAC2-sulfanyl-3H-1,2-benzoxazole
SMILESSN1Cc2ccccc2O1
InChIInChI=1S/C7H7NOS/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4,10H,5H2
InChIKeyRDYKWJVOECRBJA-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.64
Rot. Bonds

About 2-sulfanyl-3H-1,2-benzoxazole

2-sulfanyl-3H-1,2-benzoxazole (PubChem CID 19388214) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 2-sulfanyl-3H-1,2-benzoxazole.

Molecular Properties

Compound Name2-sulfanyl-3H-1,2-benzoxazole
PubChem CID19388214
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name2-sulfanyl-3H-1,2-benzoxazole
SMILESSN1Cc2ccccc2O1
InChIInChI=1S/C7H7NOS/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4,10H,5H2
InChIKeyRDYKWJVOECRBJA-UHFFFAOYSA-N
XLogP1.64
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-sulfanyl-3H-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-3H-1,2-benzoxazole?
The IUPAC name of 2-sulfanyl-3H-1,2-benzoxazole (CID 19388214) is 2-sulfanyl-3H-1,2-benzoxazole.
What is the SMILES notation for 2-sulfanyl-3H-1,2-benzoxazole?
The canonical SMILES for 2-sulfanyl-3H-1,2-benzoxazole is SN1Cc2ccccc2O1.
What is the InChIKey of 2-sulfanyl-3H-1,2-benzoxazole?
The InChIKey is RDYKWJVOECRBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4,10H,5H2.
What are the key properties of 2-sulfanyl-3H-1,2-benzoxazole?
2-sulfanyl-3H-1,2-benzoxazole has a molecular weight of 153.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-3H-1,2-benzoxazole is sourced from PubChem (CID 19388214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).