6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine

C10H12ClNS — CID 84621868

IUPAC6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
SMILESCC1CSc2ccc(Cl)cc2N1C
InChIInChI=1S/C10H12ClNS/c1-7-6-13-10-4-3-8(11)5-9(10)12(7)2/h3-5,7H,6H2,1-2H3
InChIKeyJDWAGTHAVCZFEF-UHFFFAOYSA-N
MW213.73 g/mol
LogP3.27
Rot. Bonds

About 6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine

6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 84621868) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
PubChem CID84621868
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
SMILESCC1CSc2ccc(Cl)cc2N1C
InChIInChI=1S/C10H12ClNS/c1-7-6-13-10-4-3-8(11)5-9(10)12(7)2/h3-5,7H,6H2,1-2H3
InChIKeyJDWAGTHAVCZFEF-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine (CID 84621868) is 6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine is CC1CSc2ccc(Cl)cc2N1C.
What is the InChIKey of 6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is JDWAGTHAVCZFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c1-7-6-13-10-4-3-8(11)5-9(10)12(7)2/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine?
6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 213.73 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 84621868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).