methanethioamide;N,N,N'-trimethylethanimidamide

C6H15N3S — CID 143443316

IUPACmethanethioamide;N,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N(C)C.NC=S
InChIInChI=1S/C5H12N2.CH3NS/c1-5(6-2)7(3)4;2-1-3/h1-4H3;1H,(H2,2,3)/b6-5+;
InChIKeyGPJKTFAYRFWTIA-IPZCTEOASA-N
MW161.27 g/mol
LogP0.50
Rot. Bonds

About methanethioamide;N,N,N'-trimethylethanimidamide

methanethioamide;N,N,N'-trimethylethanimidamide (PubChem CID 143443316) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is methanethioamide;N,N,N'-trimethylethanimidamide.

Molecular Properties

Compound Namemethanethioamide;N,N,N'-trimethylethanimidamide
PubChem CID143443316
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC Namemethanethioamide;N,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N(C)C.NC=S
InChIInChI=1S/C5H12N2.CH3NS/c1-5(6-2)7(3)4;2-1-3/h1-4H3;1H,(H2,2,3)/b6-5+;
InChIKeyGPJKTFAYRFWTIA-IPZCTEOASA-N
XLogP0.50
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanethioamide;N,N,N'-trimethylethanimidamide?
The IUPAC name of methanethioamide;N,N,N'-trimethylethanimidamide (CID 143443316) is methanethioamide;N,N,N'-trimethylethanimidamide.
What is the SMILES notation for methanethioamide;N,N,N'-trimethylethanimidamide?
The canonical SMILES for methanethioamide;N,N,N'-trimethylethanimidamide is C/N=C(\C)N(C)C.NC=S.
What is the InChIKey of methanethioamide;N,N,N'-trimethylethanimidamide?
The InChIKey is GPJKTFAYRFWTIA-IPZCTEOASA-N. The full InChI is InChI=1S/C5H12N2.CH3NS/c1-5(6-2)7(3)4;2-1-3/h1-4H3;1H,(H2,2,3)/b6-5+;.
What are the key properties of methanethioamide;N,N,N'-trimethylethanimidamide?
methanethioamide;N,N,N'-trimethylethanimidamide has a molecular weight of 161.27 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanethioamide;N,N,N'-trimethylethanimidamide is sourced from PubChem (CID 143443316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).