6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol

C7H10N2OS2 — CID 155221808

IUPAC6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol
SMILESSCSc1cn2c(n1)COCC2
InChIInChI=1S/C7H10N2OS2/c11-5-12-7-3-9-1-2-10-4-6(9)8-7/h3,11H,1-2,4-5H2
InChIKeyMJVDYZMOZBBXBP-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.39
Rot. Bonds2

About 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol

6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol (PubChem CID 155221808) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol
PubChem CID155221808
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol
SMILESSCSc1cn2c(n1)COCC2
InChIInChI=1S/C7H10N2OS2/c11-5-12-7-3-9-1-2-10-4-6(9)8-7/h3,11H,1-2,4-5H2
InChIKeyMJVDYZMOZBBXBP-UHFFFAOYSA-N
XLogP1.39
TPSA27.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol
CID 123626390
CID 146634269
CID 146634269
2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 155170561
2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethoxy]ethanethiol
CID 80026168
(1-Methyl-5-methylsulfanylimidazol-2-yl)methanol
CID 130128847

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol?
The IUPAC name of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol (CID 155221808) is 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol?
The canonical SMILES for 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol is SCSc1cn2c(n1)COCC2.
What is the InChIKey of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol?
The InChIKey is MJVDYZMOZBBXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c11-5-12-7-3-9-1-2-10-4-6(9)8-7/h3,11H,1-2,4-5H2.
What are the key properties of 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol?
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol has a molecular weight of 202.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol is sourced from PubChem (CID 155221808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).