(3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite

C6H10FNS — CID 142870269

IUPAC(3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite
SMILESC/N=C/C(SF)=C(C)C
InChIInChI=1S/C6H10FNS/c1-5(2)6(9-7)4-8-3/h4H,1-3H3/b8-4+
InChIKeyFTLYHNGSJZMTBQ-XBXARRHUSA-N
MW147.22 g/mol
LogP2.60
Rot. Bonds2

About (3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite

(3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite (PubChem CID 142870269) has the molecular formula C6H10FNS and a molecular weight of 147.22 g/mol. Its IUPAC name is (3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite
PubChem CID142870269
Molecular FormulaC6H10FNS
Molecular Weight147.22 g/mol
Exact Mass147.05
IUPAC Name(3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite
SMILESC/N=C/C(SF)=C(C)C
InChIInChI=1S/C6H10FNS/c1-5(2)6(9-7)4-8-3/h4H,1-3H3/b8-4+
InChIKeyFTLYHNGSJZMTBQ-XBXARRHUSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Imino-3-methylbut-2-en-2-yl) thiohypofluorite
CID 145499684
Ethane;3-methyl-1-methyliminobut-2-ene-2-thiol
CID 142339781
3-Methyl-1-methyliminobut-2-ene-2-thiol
CID 142339782
N,3-dimethyl-2-methylsulfanylbut-2-en-1-imine
CID 142871216

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite?
The IUPAC name of (3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite (CID 142870269) is (3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite.
What is the SMILES notation for (3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite?
The canonical SMILES for (3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite is C/N=C/C(SF)=C(C)C.
What is the InChIKey of (3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite?
The InChIKey is FTLYHNGSJZMTBQ-XBXARRHUSA-N. The full InChI is InChI=1S/C6H10FNS/c1-5(2)6(9-7)4-8-3/h4H,1-3H3/b8-4+.
What are the key properties of (3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite?
(3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite has a molecular weight of 147.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-methyliminobut-2-en-2-yl) thiohypofluorite is sourced from PubChem (CID 142870269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).