3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine

C12H17NS — CID 84621000

IUPAC3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine
SMILESCc1ccc(C)c2c1SCC(C)N2C
InChIInChI=1S/C12H17NS/c1-8-5-6-9(2)12-11(8)13(4)10(3)7-14-12/h5-6,10H,7H2,1-4H3
InChIKeyUYSRBUFZXVJKLF-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.23
Rot. Bonds

About 3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine

3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 84621000) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine
PubChem CID84621000
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine
SMILESCc1ccc(C)c2c1SCC(C)N2C
InChIInChI=1S/C12H17NS/c1-8-5-6-9(2)12-11(8)13(4)10(3)7-14-12/h5-6,10H,7H2,1-4H3
InChIKeyUYSRBUFZXVJKLF-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine (CID 84621000) is 3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine is Cc1ccc(C)c2c1SCC(C)N2C.
What is the InChIKey of 3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is UYSRBUFZXVJKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-8-5-6-9(2)12-11(8)13(4)10(3)7-14-12/h5-6,10H,7H2,1-4H3.
What are the key properties of 3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine?
3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 207.34 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,8-tetramethyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 84621000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).