2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide

C9H7IN4S — CID 922440

IUPAC2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide
SMILESN#CC(=NNc1ccc(I)cc1)C(N)=S
InChIInChI=1S/C9H7IN4S/c10-6-1-3-7(4-2-6)13-14-8(5-11)9(12)15/h1-4,13H,(H2,12,15)
InChIKeyKZTLSMVYJDLVFQ-UHFFFAOYSA-N
MW330.15 g/mol
LogP1.87
Rot. Bonds3

About 2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide

2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide (PubChem CID 922440) has the molecular formula C9H7IN4S and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide.

Molecular Properties

Compound Name2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide
PubChem CID922440
Molecular FormulaC9H7IN4S
Molecular Weight330.15 g/mol
Exact Mass329.94
IUPAC Name2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide
SMILESN#CC(=NNc1ccc(I)cc1)C(N)=S
InChIInChI=1S/C9H7IN4S/c10-6-1-3-7(4-2-6)13-14-8(5-11)9(12)15/h1-4,13H,(H2,12,15)
InChIKeyKZTLSMVYJDLVFQ-UHFFFAOYSA-N
XLogP1.87
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 51.87
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide
CID 5368595
(1E)-2-amino-N-(4-pyrimidin-2-ylanilino)-2-sulfanylideneethanimidoyl cyanide
CID 167211483
(1E)-N-(3-acetylanilino)-2-amino-2-sulfanylideneethanimidoyl cyanide
CID 5420075
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
(1E)-2-amino-2-sulfanylidene-N-(2,4,5-trichloroanilino)ethanimidoyl cyanide
CID 5420104
(1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide
CID 5372832
(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172931572
N-(4-methylanilino)-2-oxopropanimidoyl cyanide
CID 563292
(1E)-2-amino-N-(2-chloro-4-iodoanilino)-2-oxoethanimidoyl cyanide
CID 87996914
2-amino-N-(2-chloro-4-iodoanilino)-2-oxoethanimidoyl cyanide
CID 86045353
N-anilino-2-oxopropanimidoyl cyanide
CID 830615
(1Z)-N-(4-bromoanilino)-2-hydrazinyl-2-oxoethanimidoyl cyanide
CID 6266505

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide?
The IUPAC name of 2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide (CID 922440) is 2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide.
What is the SMILES notation for 2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide?
The canonical SMILES for 2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide is N#CC(=NNc1ccc(I)cc1)C(N)=S.
What is the InChIKey of 2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide?
The InChIKey is KZTLSMVYJDLVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN4S/c10-6-1-3-7(4-2-6)13-14-8(5-11)9(12)15/h1-4,13H,(H2,12,15).
What are the key properties of 2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide?
2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide has a molecular weight of 330.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide is sourced from PubChem (CID 922440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).