(2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide

C7H12N2S — CID 142082907

IUPAC(2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide
SMILESC/N=C(N)/C(C)=C/C=C\S
InChIInChI=1S/C7H12N2S/c1-6(4-3-5-10)7(8)9-2/h3-5,10H,1-2H3,(H2,8,9)/b5-3-,6-4+
InChIKeyYGMHNMNXLBSZDB-CIIODKQPSA-N
MW156.25 g/mol
LogP1.36
Rot. Bonds2

About (2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide

(2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide (PubChem CID 142082907) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is (2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide
PubChem CID142082907
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name(2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide
SMILESC/N=C(N)/C(C)=C/C=C\S
InChIInChI=1S/C7H12N2S/c1-6(4-3-5-10)7(8)9-2/h3-5,10H,1-2H3,(H2,8,9)/b5-3-,6-4+
InChIKeyYGMHNMNXLBSZDB-CIIODKQPSA-N
XLogP1.36
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-bromo-N'-methylbut-2-enimidamide
CID 123167599
N'-methylethanimidamide;vanadium
CID 161014708
(3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide
CID 144754266
N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide
CID 163443412
(Z)-2-cyano-N'-methylbut-2-enimidamide
CID 144543745
(3Z,5Z)-N'-methyl-2-methylidenehepta-3,5-dienimidamide
CID 145063877
(3Z)-buta-1,3-diene-1,4-dithiol
CID 131990576
(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
CID 89363639
N'-hydroxyethanimidamide;N'-methylethanimidamide
CID 172976060
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride
CID 165385964
methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide?
The IUPAC name of (2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide (CID 142082907) is (2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide?
The canonical SMILES for (2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide is C/N=C(N)/C(C)=C/C=C\S.
What is the InChIKey of (2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide?
The InChIKey is YGMHNMNXLBSZDB-CIIODKQPSA-N. The full InChI is InChI=1S/C7H12N2S/c1-6(4-3-5-10)7(8)9-2/h3-5,10H,1-2H3,(H2,8,9)/b5-3-,6-4+.
What are the key properties of (2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide?
(2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide has a molecular weight of 156.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide is sourced from PubChem (CID 142082907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).