(1-imino-3-methylbut-2-en-2-yl) thiohypofluorite

C5H8FNS — CID 145499684

IUPAC(1-imino-3-methylbut-2-en-2-yl) thiohypofluorite
SMILES[H]/N=C/C(SF)=C(C)C
InChIInChI=1S/C5H8FNS/c1-4(2)5(3-7)8-6/h3,7H,1-2H3/b7-3+
InChIKeyQFBVDMCCDSGGOE-XVNBXDOJSA-N
MW133.19 g/mol
LogP2.55
Rot. Bonds2

About (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite

(1-imino-3-methylbut-2-en-2-yl) thiohypofluorite (PubChem CID 145499684) has the molecular formula C5H8FNS and a molecular weight of 133.19 g/mol. Its IUPAC name is (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(1-imino-3-methylbut-2-en-2-yl) thiohypofluorite
PubChem CID145499684
Molecular FormulaC5H8FNS
Molecular Weight133.19 g/mol
Exact Mass133.04
IUPAC Name(1-imino-3-methylbut-2-en-2-yl) thiohypofluorite
SMILES[H]/N=C/C(SF)=C(C)C
InChIInChI=1S/C5H8FNS/c1-4(2)5(3-7)8-6/h3,7H,1-2H3/b7-3+
InChIKeyQFBVDMCCDSGGOE-XVNBXDOJSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3-Methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite
CID 142870269

Frequently Asked Questions

What is the IUPAC name of (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite?
The IUPAC name of (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite (CID 145499684) is (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite.
What is the SMILES notation for (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite?
The canonical SMILES for (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite is [H]/N=C/C(SF)=C(C)C.
What is the InChIKey of (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite?
The InChIKey is QFBVDMCCDSGGOE-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H8FNS/c1-4(2)5(3-7)8-6/h3,7H,1-2H3/b7-3+.
What are the key properties of (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite?
(1-imino-3-methylbut-2-en-2-yl) thiohypofluorite has a molecular weight of 133.19 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-imino-3-methylbut-2-en-2-yl) thiohypofluorite is sourced from PubChem (CID 145499684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).