3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine

C6H6N2S2 — CID 142264073

IUPAC3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine
SMILESCC1=Nc2ccsc2SN1
InChIInChI=1S/C6H6N2S2/c1-4-7-5-2-3-9-6(5)10-8-4/h2-3H,1H3,(H,7,8)
InChIKeyPTYZVBKIZFSFQE-UHFFFAOYSA-N
MW170.26 g/mol
LogP2.41
Rot. Bonds

About 3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine

3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine (PubChem CID 142264073) has the molecular formula C6H6N2S2 and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine.

Molecular Properties

Compound Name3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine
PubChem CID142264073
Molecular FormulaC6H6N2S2
Molecular Weight170.26 g/mol
Exact Mass170.00
IUPAC Name3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine
SMILESCC1=Nc2ccsc2SN1
InChIInChI=1S/C6H6N2S2/c1-4-7-5-2-3-9-6(5)10-8-4/h2-3H,1H3,(H,7,8)
InChIKeyPTYZVBKIZFSFQE-UHFFFAOYSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
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 3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine?
The IUPAC name of 3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine (CID 142264073) is 3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine.
What is the SMILES notation for 3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine?
The canonical SMILES for 3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine is CC1=Nc2ccsc2SN1.
What is the InChIKey of 3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine?
The InChIKey is PTYZVBKIZFSFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S2/c1-4-7-5-2-3-9-6(5)10-8-4/h2-3H,1H3,(H,7,8).
What are the key properties of 3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine?
3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine has a molecular weight of 170.26 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 3-methyl-2H-thieno[3,2-e][1,2,4]thiadiazine is sourced from PubChem (CID 142264073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).