dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane

C10H11Cl2NS2 — CID 88799494

IUPACdichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane
SMILESClS(Cl)(C1=NCCCS1)c1ccccc1
InChIInChI=1S/C10H11Cl2NS2/c11-15(12,9-5-2-1-3-6-9)10-13-7-4-8-14-10/h1-3,5-6H,4,7-8H2
InChIKeyRVCAAOYLNJFHDQ-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.65
Rot. Bonds1

About dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane

dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane (PubChem CID 88799494) has the molecular formula C10H11Cl2NS2 and a molecular weight of 280.25 g/mol. Its IUPAC name is dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane.

Molecular Properties

Compound Namedichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane
PubChem CID88799494
Molecular FormulaC10H11Cl2NS2
Molecular Weight280.25 g/mol
Exact Mass278.97
IUPAC Namedichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane
SMILESClS(Cl)(C1=NCCCS1)c1ccccc1
InChIInChI=1S/C10H11Cl2NS2/c11-15(12,9-5-2-1-3-6-9)10-13-7-4-8-14-10/h1-3,5-6H,4,7-8H2
InChIKeyRVCAAOYLNJFHDQ-UHFFFAOYSA-N
XLogP4.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane?
The IUPAC name of dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane (CID 88799494) is dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane.
What is the SMILES notation for dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane?
The canonical SMILES for dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane is ClS(Cl)(C1=NCCCS1)c1ccccc1.
What is the InChIKey of dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane?
The InChIKey is RVCAAOYLNJFHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NS2/c11-15(12,9-5-2-1-3-6-9)10-13-7-4-8-14-10/h1-3,5-6H,4,7-8H2.
What are the key properties of dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane?
dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane has a molecular weight of 280.25 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(5,6-dihydro-4H-1,3-thiazin-2-yl)-phenyl-λ4-sulfane is sourced from PubChem (CID 88799494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).