2,3-dihydrocyclohepta[b][1,4]thiazine

C9H9NS — CID 14174473

IUPAC2,3-dihydrocyclohepta[b][1,4]thiazine
SMILESC1=CC=C2SCCN=C2C=C1
InChIInChI=1S/C9H9NS/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-5H,6-7H2
InChIKeyFAYDOVHHJBDZGN-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.18
Rot. Bonds

About 2,3-dihydrocyclohepta[b][1,4]thiazine

2,3-dihydrocyclohepta[b][1,4]thiazine (PubChem CID 14174473) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 2,3-dihydrocyclohepta[b][1,4]thiazine.

Molecular Properties

Compound Name2,3-dihydrocyclohepta[b][1,4]thiazine
PubChem CID14174473
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name2,3-dihydrocyclohepta[b][1,4]thiazine
SMILESC1=CC=C2SCCN=C2C=C1
InChIInChI=1S/C9H9NS/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-5H,6-7H2
InChIKeyFAYDOVHHJBDZGN-UHFFFAOYSA-N
XLogP2.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
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N-methyl-5-methylsulfanylhepta-1,4,6-trien-3-imine
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6-(7H-cyclohepta[b]thiophen-2-yl)-2,3-dihydropyridine
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(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine
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2H-thieno[2,3-c][1]benzazepine
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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrocyclohepta[b][1,4]thiazine?
The IUPAC name of 2,3-dihydrocyclohepta[b][1,4]thiazine (CID 14174473) is 2,3-dihydrocyclohepta[b][1,4]thiazine.
What is the SMILES notation for 2,3-dihydrocyclohepta[b][1,4]thiazine?
The canonical SMILES for 2,3-dihydrocyclohepta[b][1,4]thiazine is C1=CC=C2SCCN=C2C=C1.
What is the InChIKey of 2,3-dihydrocyclohepta[b][1,4]thiazine?
The InChIKey is FAYDOVHHJBDZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-5H,6-7H2.
What are the key properties of 2,3-dihydrocyclohepta[b][1,4]thiazine?
2,3-dihydrocyclohepta[b][1,4]thiazine has a molecular weight of 163.25 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrocyclohepta[b][1,4]thiazine is sourced from PubChem (CID 14174473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).