7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine

C9H13NOS2 — CID 139776096

IUPAC7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
SMILESCSC1NCCOc2cc(C)sc21
InChIInChI=1S/C9H13NOS2/c1-6-5-7-8(13-6)9(12-2)10-3-4-11-7/h5,9-10H,3-4H2,1-2H3
InChIKeyMJDSTEYXJZXOLA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.40
Rot. Bonds1

About 7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine

7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine (PubChem CID 139776096) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine.

Molecular Properties

Compound Name7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
PubChem CID139776096
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
SMILESCSC1NCCOc2cc(C)sc21
InChIInChI=1S/C9H13NOS2/c1-6-5-7-8(13-6)9(12-2)10-3-4-11-7/h5,9-10H,3-4H2,1-2H3
InChIKeyMJDSTEYXJZXOLA-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
The IUPAC name of 7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine (CID 139776096) is 7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine.
What is the SMILES notation for 7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
The canonical SMILES for 7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine is CSC1NCCOc2cc(C)sc21.
What is the InChIKey of 7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
The InChIKey is MJDSTEYXJZXOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-6-5-7-8(13-6)9(12-2)10-3-4-11-7/h5,9-10H,3-4H2,1-2H3.
What are the key properties of 7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine has a molecular weight of 215.34 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine is sourced from PubChem (CID 139776096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).