3-benzylsulfanyl-2H-1,4-benzothiazine

C15H13NS2 — CID 10635857

IUPAC3-benzylsulfanyl-2H-1,4-benzothiazine
SMILESc1ccc(CSC2=Nc3ccccc3SC2)cc1
InChIInChI=1S/C15H13NS2/c1-2-6-12(7-3-1)10-18-15-11-17-14-9-5-4-8-13(14)16-15/h1-9H,10-11H2
InChIKeyHSEGOCRRMFVSQQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.76
Rot. Bonds2

About 3-benzylsulfanyl-2H-1,4-benzothiazine

3-benzylsulfanyl-2H-1,4-benzothiazine (PubChem CID 10635857) has the molecular formula C15H13NS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-benzylsulfanyl-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-benzylsulfanyl-2H-1,4-benzothiazine
PubChem CID10635857
Molecular FormulaC15H13NS2
Molecular Weight271.41 g/mol
Exact Mass271.05
IUPAC Name3-benzylsulfanyl-2H-1,4-benzothiazine
SMILESc1ccc(CSC2=Nc3ccccc3SC2)cc1
InChIInChI=1S/C15H13NS2/c1-2-6-12(7-3-1)10-18-15-11-17-14-9-5-4-8-13(14)16-15/h1-9H,10-11H2
InChIKeyHSEGOCRRMFVSQQ-UHFFFAOYSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-2H-1,4-benzothiazine?
The IUPAC name of 3-benzylsulfanyl-2H-1,4-benzothiazine (CID 10635857) is 3-benzylsulfanyl-2H-1,4-benzothiazine.
What is the SMILES notation for 3-benzylsulfanyl-2H-1,4-benzothiazine?
The canonical SMILES for 3-benzylsulfanyl-2H-1,4-benzothiazine is c1ccc(CSC2=Nc3ccccc3SC2)cc1.
What is the InChIKey of 3-benzylsulfanyl-2H-1,4-benzothiazine?
The InChIKey is HSEGOCRRMFVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS2/c1-2-6-12(7-3-1)10-18-15-11-17-14-9-5-4-8-13(14)16-15/h1-9H,10-11H2.
What are the key properties of 3-benzylsulfanyl-2H-1,4-benzothiazine?
3-benzylsulfanyl-2H-1,4-benzothiazine has a molecular weight of 271.41 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-2H-1,4-benzothiazine is sourced from PubChem (CID 10635857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).