7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine

C10H5ClINOS — CID 138741814

IUPAC7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine
SMILESClc1ccc2c3c(sc2c1)C(I)=NOC3
InChIInChI=1S/C10H5ClINOS/c11-5-1-2-6-7-4-14-13-10(12)9(7)15-8(6)3-5/h1-3H,4H2
InChIKeyJHNPSGFVMWWLJU-UHFFFAOYSA-N
MW349.58 g/mol
LogP4.18
Rot. Bonds

About 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine

7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine (PubChem CID 138741814) has the molecular formula C10H5ClINOS and a molecular weight of 349.58 g/mol. Its IUPAC name is 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine.

Molecular Properties

Compound Name7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine
PubChem CID138741814
Molecular FormulaC10H5ClINOS
Molecular Weight349.58 g/mol
Exact Mass348.88
IUPAC Name7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine
SMILESClc1ccc2c3c(sc2c1)C(I)=NOC3
InChIInChI=1S/C10H5ClINOS/c11-5-1-2-6-7-4-14-13-10(12)9(7)15-8(6)3-5/h1-3H,4H2
InChIKeyJHNPSGFVMWWLJU-UHFFFAOYSA-N
XLogP4.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.58
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine 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 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine?
The IUPAC name of 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine (CID 138741814) is 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine.
What is the SMILES notation for 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine?
The canonical SMILES for 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine is Clc1ccc2c3c(sc2c1)C(I)=NOC3.
What is the InChIKey of 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine?
The InChIKey is JHNPSGFVMWWLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClINOS/c11-5-1-2-6-7-4-14-13-10(12)9(7)15-8(6)3-5/h1-3H,4H2.
What are the key properties of 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine?
7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine has a molecular weight of 349.58 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-iodo-1H-[1]benzothiolo[2,3-d]oxazine is sourced from PubChem (CID 138741814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).