1-sulfanylidene-2H-1λ4,2-benzothiazine

C8H7NS2 — CID 67293599

IUPAC1-sulfanylidene-2H-1λ4,2-benzothiazine
SMILESS=S1NC=Cc2ccccc21
InChIInChI=1S/C8H7NS2/c10-11-8-4-2-1-3-7(8)5-6-9-11/h1-6,9H
InChIKeyYWLASNQCODQVHJ-UHFFFAOYSA-N
MW181.29 g/mol
LogP1.61
Rot. Bonds

About 1-sulfanylidene-2H-1λ4,2-benzothiazine

1-sulfanylidene-2H-1λ4,2-benzothiazine (PubChem CID 67293599) has the molecular formula C8H7NS2 and a molecular weight of 181.29 g/mol. Its IUPAC name is 1-sulfanylidene-2H-1λ4,2-benzothiazine.

Molecular Properties

Compound Name1-sulfanylidene-2H-1λ4,2-benzothiazine
PubChem CID67293599
Molecular FormulaC8H7NS2
Molecular Weight181.29 g/mol
Exact Mass181.00
IUPAC Name1-sulfanylidene-2H-1λ4,2-benzothiazine
SMILESS=S1NC=Cc2ccccc21
InChIInChI=1S/C8H7NS2/c10-11-8-4-2-1-3-7(8)5-6-9-11/h1-6,9H
InChIKeyYWLASNQCODQVHJ-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanylidene-2H-1λ4,2-benzothiazine?
The IUPAC name of 1-sulfanylidene-2H-1λ4,2-benzothiazine (CID 67293599) is 1-sulfanylidene-2H-1λ4,2-benzothiazine.
What is the SMILES notation for 1-sulfanylidene-2H-1λ4,2-benzothiazine?
The canonical SMILES for 1-sulfanylidene-2H-1λ4,2-benzothiazine is S=S1NC=Cc2ccccc21.
What is the InChIKey of 1-sulfanylidene-2H-1λ4,2-benzothiazine?
The InChIKey is YWLASNQCODQVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS2/c10-11-8-4-2-1-3-7(8)5-6-9-11/h1-6,9H.
What are the key properties of 1-sulfanylidene-2H-1λ4,2-benzothiazine?
1-sulfanylidene-2H-1λ4,2-benzothiazine has a molecular weight of 181.29 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylidene-2H-1λ4,2-benzothiazine is sourced from PubChem (CID 67293599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).