methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide

C9H21N3S — CID 91049347

IUPACmethyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N(C)C.C/N=C(\C)SC
InChIInChI=1S/C5H12N2.C4H9NS/c1-5(6-2)7(3)4;1-4(5-2)6-3/h1-4H3;1-3H3/b6-5+;5-4+
InChIKeyFXRWVQDMAYQGKF-MHCZMQLOSA-N
MW203.35 g/mol
LogP1.99
Rot. Bonds

About methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide

methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide (PubChem CID 91049347) has the molecular formula C9H21N3S and a molecular weight of 203.35 g/mol. Its IUPAC name is methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide.

Molecular Properties

Compound Namemethyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide
PubChem CID91049347
Molecular FormulaC9H21N3S
Molecular Weight203.35 g/mol
Exact Mass203.15
IUPAC Namemethyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N(C)C.C/N=C(\C)SC
InChIInChI=1S/C5H12N2.C4H9NS/c1-5(6-2)7(3)4;1-4(5-2)6-3/h1-4H3;1-3H3/b6-5+;5-4+
InChIKeyFXRWVQDMAYQGKF-MHCZMQLOSA-N
XLogP1.99
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide?
The IUPAC name of methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide (CID 91049347) is methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide.
What is the SMILES notation for methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide?
The canonical SMILES for methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide is C/N=C(\C)N(C)C.C/N=C(\C)SC.
What is the InChIKey of methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide?
The InChIKey is FXRWVQDMAYQGKF-MHCZMQLOSA-N. The full InChI is InChI=1S/C5H12N2.C4H9NS/c1-5(6-2)7(3)4;1-4(5-2)6-3/h1-4H3;1-3H3/b6-5+;5-4+.
What are the key properties of methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide?
methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide has a molecular weight of 203.35 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide is sourced from PubChem (CID 91049347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).