methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate

C6H13N3OS — CID 142076263

IUPACmethyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate
SMILESCS/C(=N/N(C)C)N(C)C=O
InChIInChI=1S/C6H13N3OS/c1-8(2)7-6(11-4)9(3)5-10/h5H,1-4H3/b7-6+
InChIKeyJWXNJFDFTHQBOU-VOTSOKGWSA-N
MW175.26 g/mol
LogP0.27
Rot. Bonds2

About methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate

methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate (PubChem CID 142076263) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate
PubChem CID142076263
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC Namemethyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate
SMILESCS/C(=N/N(C)C)N(C)C=O
InChIInChI=1S/C6H13N3OS/c1-8(2)7-6(11-4)9(3)5-10/h5H,1-4H3/b7-6+
InChIKeyJWXNJFDFTHQBOU-VOTSOKGWSA-N
XLogP0.27
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylformamide;methylsulfanylmethane
CID 158808099
methyl N'-(dimethylamino)-N-methylidenecarbamimidothioate
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N-(dimethylcarbamoselenoyl)-N-methylformamide
CID 59108194
methyl N'-acetyl-N,N-dimethylcarbamimidothioate
CID 23405776
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821
N-formyl-N-methyl-2-methylsulfanylbutanamide
CID 146207261
methyl N-(dimethylamino)-N,N'-dimethylcarbamimidothioate
CID 20684887
methyl N'-[(E)-2-(dimethylamino)ethenyl]carbamimidothioate
CID 76851920
methyl N,N-dimethyl-N'-nitrocarbamimidothioate
CID 73470834
CID 159352431
CID 159352431
(3Z)-3-(dimethylhydrazinylidene)butan-2-one
CID 93497612
N-formyl-N-methylcyclopropanecarboxamide
CID 89047170

Frequently Asked Questions

What is the IUPAC name of methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate?
The IUPAC name of methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate (CID 142076263) is methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate.
What is the SMILES notation for methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate?
The canonical SMILES for methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate is CS/C(=N/N(C)C)N(C)C=O.
What is the InChIKey of methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate?
The InChIKey is JWXNJFDFTHQBOU-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13N3OS/c1-8(2)7-6(11-4)9(3)5-10/h5H,1-4H3/b7-6+.
What are the key properties of methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate?
methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate has a molecular weight of 175.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(dimethylamino)-N-formyl-N-methylcarbamimidothioate is sourced from PubChem (CID 142076263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).