(Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride

C5H8FNS — CID 138494785

IUPAC(Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(C)=C(/C)S
InChIInChI=1S/C5H8FNS/c1-3(4(2)8)5(6)7/h7-8H,1-2H3/b4-3-,7-5-
InChIKeyFQACXDHNWYOHEI-MRWCJKGFSA-N
MW133.19 g/mol
LogP2.16
Rot. Bonds1

About (Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride

(Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride (PubChem CID 138494785) has the molecular formula C5H8FNS and a molecular weight of 133.19 g/mol. Its IUPAC name is (Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride
PubChem CID138494785
Molecular FormulaC5H8FNS
Molecular Weight133.19 g/mol
Exact Mass133.04
IUPAC Name(Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(C)=C(/C)S
InChIInChI=1S/C5H8FNS/c1-3(4(2)8)5(6)7/h7-8H,1-2H3/b4-3-,7-5-
InChIKeyFQACXDHNWYOHEI-MRWCJKGFSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

magnesium;ethanimidoyl fluoride;hydride
CID 174794498
3-methylbut-2-ene-2-thiol
CID 19937202
3-aminobut-2-enimidoyl fluoride
CID 149013787
(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride
CID 138494852
3,4,4-trifluorobut-3-en-2-imine
CID 58488810
(Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride
CID 146392881
prop-1-ene-1,1,2-trithiol
CID 88897307
2-hydroxy-2-methyl-N-methylidenepropanimidamide
CID 165398140
cobalt;ethanimidamide
CID 162055614
ethanimidate;methane
CID 162090399
carbamimidoyl fluoride;λ2-plumbane
CID 175191014
copper ethanimidate
CID 159106233

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride?
The IUPAC name of (Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride (CID 138494785) is (Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride?
The canonical SMILES for (Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride is [H]/N=C(F)/C(C)=C(/C)S.
What is the InChIKey of (Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride?
The InChIKey is FQACXDHNWYOHEI-MRWCJKGFSA-N. The full InChI is InChI=1S/C5H8FNS/c1-3(4(2)8)5(6)7/h7-8H,1-2H3/b4-3-,7-5-.
What are the key properties of (Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride?
(Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride has a molecular weight of 133.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride is sourced from PubChem (CID 138494785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).