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

C8H11NOS2 — CID 139776051

IUPAC5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
SMILESCSC1NCCOc2ccsc21
InChIInChI=1S/C8H11NOS2/c1-11-8-7-6(2-5-12-7)10-4-3-9-8/h2,5,8-9H,3-4H2,1H3
InChIKeyBIYUFHBMKADLTF-UHFFFAOYSA-N
MW201.32 g/mol
LogP2.09
Rot. Bonds1

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

5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine (PubChem CID 139776051) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine.

Molecular Properties

Compound Name5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
PubChem CID139776051
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
SMILESCSC1NCCOc2ccsc21
InChIInChI=1S/C8H11NOS2/c1-11-8-7-6(2-5-12-7)10-4-3-9-8/h2,5,8-9H,3-4H2,1H3
InChIKeyBIYUFHBMKADLTF-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine with MolForge

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Related Compounds

7-Methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 156098255
3-(Trifluoromethyl)-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 156238504
3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115732963
N-[(3-methoxythiophen-2-yl)methyl]ethanamine
CID 63333048
8-(Cyclobutadienyl)-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 67959225
8-Ethyl-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 67959305
3,4-dihydro-2H-thieno[2,3-f][1,4]oxazepine-5-thione
CID 85717788
7-methyl-3,4-dihydro-2H-thieno[2,3-f][1,4]oxazepine-5-thione
CID 85717793
7-Methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 139776096
3-Cyclopropyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 146205612
(3S)-3-propyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 175795939
N-[(3-methoxythiophen-2-yl)methyl]ethanamine;hydrochloride
CID 175799887

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
The IUPAC name of 5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine (CID 139776051) is 5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine.
What is the SMILES notation for 5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
The canonical SMILES for 5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine is CSC1NCCOc2ccsc21.
What is the InChIKey of 5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
The InChIKey is BIYUFHBMKADLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-11-8-7-6(2-5-12-7)10-4-3-9-8/h2,5,8-9H,3-4H2,1H3.
What are the key properties of 5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine has a molecular weight of 201.32 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine is sourced from PubChem (CID 139776051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).