6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine

C5H5ClN2S2 — CID 90769300

IUPAC6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine
SMILESClc1cc2c(s1)SNCN2
InChIInChI=1S/C5H5ClN2S2/c6-4-1-3-5(9-4)10-8-2-7-3/h1,7-8H,2H2
InChIKeyTUKWAPNRCICFAR-UHFFFAOYSA-N
MW192.70 g/mol
LogP2.38
Rot. Bonds

About 6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine

6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine (PubChem CID 90769300) has the molecular formula C5H5ClN2S2 and a molecular weight of 192.70 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine
PubChem CID90769300
Molecular FormulaC5H5ClN2S2
Molecular Weight192.70 g/mol
Exact Mass191.96
IUPAC Name6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine
SMILESClc1cc2c(s1)SNCN2
InChIInChI=1S/C5H5ClN2S2/c6-4-1-3-5(9-4)10-8-2-7-3/h1,7-8H,2H2
InChIKeyTUKWAPNRCICFAR-UHFFFAOYSA-N
XLogP2.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.70
LogP ≤ 52.38
H-Bond Donors ≤ 52
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-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine?
The IUPAC name of 6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine (CID 90769300) is 6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine.
What is the SMILES notation for 6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine?
The canonical SMILES for 6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine is Clc1cc2c(s1)SNCN2.
What is the InChIKey of 6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine?
The InChIKey is TUKWAPNRCICFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S2/c6-4-1-3-5(9-4)10-8-2-7-3/h1,7-8H,2H2.
What are the key properties of 6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine?
6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine has a molecular weight of 192.70 g/mol, XLogP of 2.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dihydro-2H-thieno[3,2-e][1,2,4]thiadiazine is sourced from PubChem (CID 90769300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).