(1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide

C10H7F3N4S — CID 5372832

IUPAC(1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide
SMILESN#C/C(=N/Nc1ccccc1C(F)(F)F)C(N)=S
InChIInChI=1S/C10H7F3N4S/c11-10(12,13)6-3-1-2-4-7(6)16-17-8(5-14)9(15)18/h1-4,16H,(H2,15,18)/b17-8-
InChIKeyAVCQQCYPFCUDIL-IUXPMGMMSA-N
MW272.26 g/mol
LogP2.28
Rot. Bonds3

About (1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide

(1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide (PubChem CID 5372832) has the molecular formula C10H7F3N4S and a molecular weight of 272.26 g/mol. Its IUPAC name is (1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide
PubChem CID5372832
Molecular FormulaC10H7F3N4S
Molecular Weight272.26 g/mol
Exact Mass272.03
IUPAC Name(1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide
SMILESN#C/C(=N/Nc1ccccc1C(F)(F)F)C(N)=S
InChIInChI=1S/C10H7F3N4S/c11-10(12,13)6-3-1-2-4-7(6)16-17-8(5-14)9(15)18/h1-4,16H,(H2,15,18)/b17-8-
InChIKeyAVCQQCYPFCUDIL-IUXPMGMMSA-N
XLogP2.28
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.28
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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Related Compounds

(1E)-2-amino-2-sulfanylidene-N-(2,4,5-trichloroanilino)ethanimidoyl cyanide
CID 5420104
(1Z)-2-amino-N-[4-fluoro-2-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172931626
1-(diaminomethylideneamino)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 45033850
[2-(trifluoromethyl)anilino]thiourea
CID 54297907
(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide
CID 5368595
2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide
CID 922440
2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337449
[2-(trifluoromethyl)phenyl]cyanamide
CID 12503114
(1Z)-2-amino-2-imino-N-[4-methoxy-2-(trifluoromethyl)anilino]ethanimidoyl cyanide
CID 172931947
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
2-[[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339854
2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride
CID 149251698

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide (CID 5372832) is (1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide is N#C/C(=N/Nc1ccccc1C(F)(F)F)C(N)=S.
What is the InChIKey of (1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide?
The InChIKey is AVCQQCYPFCUDIL-IUXPMGMMSA-N. The full InChI is InChI=1S/C10H7F3N4S/c11-10(12,13)6-3-1-2-4-7(6)16-17-8(5-14)9(15)18/h1-4,16H,(H2,15,18)/b17-8-.
What are the key properties of (1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide?
(1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide has a molecular weight of 272.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide is sourced from PubChem (CID 5372832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).