(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide

C10H10N4S — CID 5368595

IUPAC(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide
SMILESCc1ccc(N/N=C(\C#N)C(N)=S)cc1
InChIInChI=1S/C10H10N4S/c1-7-2-4-8(5-3-7)13-14-9(6-11)10(12)15/h2-5,13H,1H3,(H2,12,15)/b14-9+
InChIKeyRPVOSBBQXAMJEF-NTEUORMPSA-N
MW218.28 g/mol
LogP1.57
Rot. Bonds3

About (1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide

(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide (PubChem CID 5368595) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is (1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide
PubChem CID5368595
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide
SMILESCc1ccc(N/N=C(\C#N)C(N)=S)cc1
InChIInChI=1S/C10H10N4S/c1-7-2-4-8(5-3-7)13-14-9(6-11)10(12)15/h2-5,13H,1H3,(H2,12,15)/b14-9+
InChIKeyRPVOSBBQXAMJEF-NTEUORMPSA-N
XLogP1.57
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide?
The IUPAC name of (1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide (CID 5368595) is (1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide.
What is the SMILES notation for (1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide?
The canonical SMILES for (1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide is Cc1ccc(N/N=C(\C#N)C(N)=S)cc1.
What is the InChIKey of (1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide?
The InChIKey is RPVOSBBQXAMJEF-NTEUORMPSA-N. The full InChI is InChI=1S/C10H10N4S/c1-7-2-4-8(5-3-7)13-14-9(6-11)10(12)15/h2-5,13H,1H3,(H2,12,15)/b14-9+.
What are the key properties of (1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide?
(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide has a molecular weight of 218.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide is sourced from PubChem (CID 5368595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).