CID 146634269

C8H11N2OS- — CID 146634269

IUPAC—
SMILESC#[S-](C)c1cn2c(n1)COCC2
InChIInChI=1S/C8H11N2OS/c1-12(2)8-5-10-3-4-11-6-7(10)9-8/h1,5H,3-4,6H2,2H3/q-1
InChIKeyCJMJUHVITPULKO-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.61
Rot. Bonds

About CID 146634269

CID 146634269 (PubChem CID 146634269) has the molecular formula C8H11N2OS- and a molecular weight of 183.26 g/mol.

Molecular Properties

Compound NameCID 146634269
PubChem CID146634269
Molecular FormulaC8H11N2OS-
Molecular Weight183.26 g/mol
Exact Mass183.06
IUPAC Name—
SMILESC#[S-](C)c1cn2c(n1)COCC2
InChIInChI=1S/C8H11N2OS/c1-12(2)8-5-10-3-4-11-6-7(10)9-8/h1,5H,3-4,6H2,2H3/q-1
InChIKeyCJMJUHVITPULKO-UHFFFAOYSA-N
XLogP0.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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2-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-methyl-4-methylsulfanylimidazole
CID 69431426
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol
CID 123626390
7-methyl-3-methylsulfanyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 123686471
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-sulfonyl chloride
CID 140246309
1-Methoxybutane;8-methylsulfanylimidazo[1,2-a]pyrazine
CID 143465311
1-ethyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium
CID 145557605
6-Ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine
CID 146338772
2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 155170561
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol
CID 155221808
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;ethane
CID 168912689

Frequently Asked Questions

What is the IUPAC name of CID 146634269?
The IUPAC name of CID 146634269 (CID 146634269) is not available.
What is the SMILES notation for CID 146634269?
The canonical SMILES for CID 146634269 is C#[S-](C)c1cn2c(n1)COCC2.
What is the InChIKey of CID 146634269?
The InChIKey is CJMJUHVITPULKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2OS/c1-12(2)8-5-10-3-4-11-6-7(10)9-8/h1,5H,3-4,6H2,2H3/q-1.
What are the key properties of CID 146634269?
CID 146634269 has a molecular weight of 183.26 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146634269 is sourced from PubChem (CID 146634269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).