(2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide

C4H7N3OS — CID 170023364

IUPAC(2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide
SMILESCNC(=O)/C=N\NC=S
InChIInChI=1S/C4H7N3OS/c1-5-4(8)2-6-7-3-9/h2-3H,1H3,(H,5,8)(H,7,9)/b6-2-
InChIKeyQZAMIYBMWMZLEL-KXFIGUGUSA-N
MW145.19 g/mol
LogP-0.74
Rot. Bonds3

About (2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide

(2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide (PubChem CID 170023364) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is (2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide
PubChem CID170023364
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name(2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide
SMILESCNC(=O)/C=N\NC=S
InChIInChI=1S/C4H7N3OS/c1-5-4(8)2-6-7-3-9/h2-3H,1H3,(H,5,8)(H,7,9)/b6-2-
InChIKeyQZAMIYBMWMZLEL-KXFIGUGUSA-N
XLogP-0.74
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide?
The IUPAC name of (2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide (CID 170023364) is (2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide.
What is the SMILES notation for (2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide?
The canonical SMILES for (2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide is CNC(=O)/C=N\NC=S.
What is the InChIKey of (2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide?
The InChIKey is QZAMIYBMWMZLEL-KXFIGUGUSA-N. The full InChI is InChI=1S/C4H7N3OS/c1-5-4(8)2-6-7-3-9/h2-3H,1H3,(H,5,8)(H,7,9)/b6-2-.
What are the key properties of (2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide?
(2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide has a molecular weight of 145.19 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methanethioylhydrazinylidene)-N-methylacetamide is sourced from PubChem (CID 170023364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).