6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine

C9H10ClNS — CID 84619645

IUPAC6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2cc(Cl)ccc2S1
InChIInChI=1S/C9H10ClNS/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKeyNGXNXUGIFPKVAU-UHFFFAOYSA-N
MW199.71 g/mol
LogP3.25
Rot. Bonds

About 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine

6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 84619645) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID84619645
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2cc(Cl)ccc2S1
InChIInChI=1S/C9H10ClNS/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKeyNGXNXUGIFPKVAU-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorpromazine
CID 2726
Chlorpromazine Hydrochloride
CID 6240
Chlorproethazine
CID 65750
2-Chlorophenothiazine
CID 7088
N,N-Didemethylchlorpromazine
CID 74981
2-Chloro-10H-phenothiazine-10-propanenitrile
CID 98830
10H-Phenothiazine-10-propanamine, 2-chloro-N,N-diethyl-, hydrochloride (1:1)
CID 71829
10H-Phenothiazine-10-propanaminium, 2-chloro-N,N,N-trimethyl-, iodide (1:1)
CID 9682
10H-Phenothiazine-10-propanamine, 2-chloro-, hydrochloride (1:1)
CID 197797
2-chloro-10-(3-chloropropyl)-10H-phenothiazine
CID 75998
2,3-Dihydro-1,4-benzothiazine
CID 151064
Desmethylchlorpromazine
CID 62875

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine (CID 84619645) is 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine is CC1CNc2cc(Cl)ccc2S1.
What is the InChIKey of 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is NGXNXUGIFPKVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNS/c1-6-5-11-8-4-7(10)2-3-9(8)12-6/h2-4,6,11H,5H2,1H3.
What are the key properties of 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 199.71 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 84619645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).