ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane

C10H9NS2 — CID 141074711

IUPACethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane
SMILESC=C=S=S1NC=Cc2ccccc21
InChIInChI=1S/C10H9NS2/c1-2-12-13-10-6-4-3-5-9(10)7-8-11-13/h3-8,11H,1H2
InChIKeyVHHZUYIJRDOAKC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds

About ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane

ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane (PubChem CID 141074711) has the molecular formula C10H9NS2 and a molecular weight of 207.32 g/mol. Its IUPAC name is ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane.

Molecular Properties

Compound Nameethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane
PubChem CID141074711
Molecular FormulaC10H9NS2
Molecular Weight207.32 g/mol
Exact Mass207.02
IUPAC Nameethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane
SMILESC=C=S=S1NC=Cc2ccccc21
InChIInChI=1S/C10H9NS2/c1-2-12-13-10-6-4-3-5-9(10)7-8-11-13/h3-8,11H,1H2
InChIKeyVHHZUYIJRDOAKC-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane?
The IUPAC name of ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane (CID 141074711) is ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane.
What is the SMILES notation for ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane?
The canonical SMILES for ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane is C=C=S=S1NC=Cc2ccccc21.
What is the InChIKey of ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane?
The InChIKey is VHHZUYIJRDOAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS2/c1-2-12-13-10-6-4-3-5-9(10)7-8-11-13/h3-8,11H,1H2.
What are the key properties of ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane?
ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane has a molecular weight of 207.32 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylidene(2H-1λ4,2-benzothiazin-1-ylidene)-λ4-sulfane is sourced from PubChem (CID 141074711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).