[(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide

C5H9IN2S — CID 163502929

IUPAC[(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide
SMILES[H]/N=C(\I)S/C(=C\C)CN
InChIInChI=1S/C5H9IN2S/c1-2-4(3-7)9-5(6)8/h2,8H,3,7H2,1H3/b4-2-,8-5+
InChIKeyCWGFVSRJGSODBD-BTPMFQHTSA-N
MW256.11 g/mol
LogP1.95
Rot. Bonds2

About [(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide

[(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide (PubChem CID 163502929) has the molecular formula C5H9IN2S and a molecular weight of 256.11 g/mol. Its IUPAC name is [(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide.

Molecular Properties

Compound Name[(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide
PubChem CID163502929
Molecular FormulaC5H9IN2S
Molecular Weight256.11 g/mol
Exact Mass255.95
IUPAC Name[(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide
SMILES[H]/N=C(\I)S/C(=C\C)CN
InChIInChI=1S/C5H9IN2S/c1-2-4(3-7)9-5(6)8/h2,8H,3,7H2,1H3/b4-2-,8-5+
InChIKeyCWGFVSRJGSODBD-BTPMFQHTSA-N
XLogP1.95
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[(Z)-but-2-en-2-yl]sulfanylbut-2-en-1-amine
CID 177320214
(E)-2-imino-3-methylpent-3-en-1-amine
CID 170222558
carbamimidoyl iodide;hydron
CID 174864753
ethyl 2-aminoethanimidothioate
CID 58305794
2-iminopent-3-ene-1,4-diamine
CID 147865481
(Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide
CID 176530011
2,3-diiminobutan-1-amine
CID 123340860
CID 177319664
CID 177319664
(Z)-N-methyl-2-methylsulfanylprop-1-ene-1,3-diamine
CID 145277623
1-[(Z)-pent-2-en-3-yl]sulfanylethenamine
CID 171562987
(Z)-4-iminopent-2-en-1-amine
CID 142289238
ethanimidamide;guanidine
CID 160661984

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide?
The IUPAC name of [(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide (CID 163502929) is [(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide.
What is the SMILES notation for [(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide?
The canonical SMILES for [(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide is [H]/N=C(\I)S/C(=C\C)CN.
What is the InChIKey of [(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide?
The InChIKey is CWGFVSRJGSODBD-BTPMFQHTSA-N. The full InChI is InChI=1S/C5H9IN2S/c1-2-4(3-7)9-5(6)8/h2,8H,3,7H2,1H3/b4-2-,8-5+.
What are the key properties of [(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide?
[(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide has a molecular weight of 256.11 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-aminobut-2-en-2-yl]sulfanylmethanimidoyl iodide is sourced from PubChem (CID 163502929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).