6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine

C6H7ClN2S2 — CID 91352836

IUPAC6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine
SMILESCN1CNSc2sc(Cl)cc21
InChIInChI=1S/C6H7ClN2S2/c1-9-3-8-11-6-4(9)2-5(7)10-6/h2,8H,3H2,1H3
InChIKeyUXXBOHLCSPBEBK-UHFFFAOYSA-N
MW206.72 g/mol
LogP2.41
Rot. Bonds

About 6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine

6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine (PubChem CID 91352836) has the molecular formula C6H7ClN2S2 and a molecular weight of 206.72 g/mol. Its IUPAC name is 6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine.

Molecular Properties

Compound Name6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine
PubChem CID91352836
Molecular FormulaC6H7ClN2S2
Molecular Weight206.72 g/mol
Exact Mass205.97
IUPAC Name6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine
SMILESCN1CNSc2sc(Cl)cc21
InChIInChI=1S/C6H7ClN2S2/c1-9-3-8-11-6-4(9)2-5(7)10-6/h2,8H,3H2,1H3
InChIKeyUXXBOHLCSPBEBK-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine?
The IUPAC name of 6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine (CID 91352836) is 6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine.
What is the SMILES notation for 6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine?
The canonical SMILES for 6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine is CN1CNSc2sc(Cl)cc21.
What is the InChIKey of 6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine?
The InChIKey is UXXBOHLCSPBEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S2/c1-9-3-8-11-6-4(9)2-5(7)10-6/h2,8H,3H2,1H3.
What are the key properties of 6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine?
6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine has a molecular weight of 206.72 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine is sourced from PubChem (CID 91352836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).