5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine

C10H7ClNS- — CID 143868151

IUPAC5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine
SMILES[S-]N1C2=C1c1ccc(Cl)cc1CC2
InChIInChI=1S/C10H7ClNS/c11-7-2-3-8-6(5-7)1-4-9-10(8)12(9)13/h2-3,5H,1,4H2/q-1
InChIKeyJYMHHVHRTFEUJP-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.73
Rot. Bonds

About 5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine

5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine (PubChem CID 143868151) has the molecular formula C10H7ClNS- and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine.

Molecular Properties

Compound Name5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine
PubChem CID143868151
Molecular FormulaC10H7ClNS-
Molecular Weight208.69 g/mol
Exact Mass208.00
IUPAC Name5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine
SMILES[S-]N1C2=C1c1ccc(Cl)cc1CC2
InChIInChI=1S/C10H7ClNS/c11-7-2-3-8-6(5-7)1-4-9-10(8)12(9)13/h2-3,5H,1,4H2/q-1
InChIKeyJYMHHVHRTFEUJP-UHFFFAOYSA-N
XLogP2.73
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine?
The IUPAC name of 5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine (CID 143868151) is 5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine.
What is the SMILES notation for 5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine?
The canonical SMILES for 5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine is [S-]N1C2=C1c1ccc(Cl)cc1CC2.
What is the InChIKey of 5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine?
The InChIKey is JYMHHVHRTFEUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClNS/c11-7-2-3-8-6(5-7)1-4-9-10(8)12(9)13/h2-3,5H,1,4H2/q-1.
What are the key properties of 5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine?
5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine has a molecular weight of 208.69 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine is sourced from PubChem (CID 143868151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).