2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine

C10H13NS — CID 71755532

IUPAC2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1Nc2ccccc2SC1C
InChIInChI=1S/C10H13NS/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-8,11H,1-2H3
InChIKeyRFRWCQZPTDJSPQ-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.98
Rot. Bonds

About 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine

2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 71755532) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID71755532
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1Nc2ccccc2SC1C
InChIInChI=1S/C10H13NS/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-8,11H,1-2H3
InChIKeyRFRWCQZPTDJSPQ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine (CID 71755532) is 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine is CC1Nc2ccccc2SC1C.
What is the InChIKey of 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is RFRWCQZPTDJSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-8,11H,1-2H3.
What are the key properties of 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine?
2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 179.29 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 71755532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).