sodium;hydride;S-methyl N-methylcarbamothioate

C3H8NNaOS — CID 174959899

IUPACsodium;hydride;S-methyl N-methylcarbamothioate
SMILESCNC(=O)SC.[H-].[Na+]
InChIInChI=1S/C3H7NOS.Na.H/c1-4-3(5)6-2;;/h1-2H3,(H,4,5);;/q;+1;-1
InChIKeyVVXDACQVHDXIFO-UHFFFAOYSA-N
MW129.16 g/mol
LogP-2.19
Rot. Bonds

About sodium;hydride;S-methyl N-methylcarbamothioate

sodium;hydride;S-methyl N-methylcarbamothioate (PubChem CID 174959899) has the molecular formula C3H8NNaOS and a molecular weight of 129.16 g/mol. Its IUPAC name is sodium;hydride;S-methyl N-methylcarbamothioate.

Molecular Properties

Compound Namesodium;hydride;S-methyl N-methylcarbamothioate
PubChem CID174959899
Molecular FormulaC3H8NNaOS
Molecular Weight129.16 g/mol
Exact Mass129.02
IUPAC Namesodium;hydride;S-methyl N-methylcarbamothioate
SMILESCNC(=O)SC.[H-].[Na+]
InChIInChI=1S/C3H7NOS.Na.H/c1-4-3(5)6-2;;/h1-2H3,(H,4,5);;/q;+1;-1
InChIKeyVVXDACQVHDXIFO-UHFFFAOYSA-N
XLogP-2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethylurea;methane;S-methyl N-methylcarbamothioate
CID 162094080
S-methyl N-sulfanylcarbamothioate
CID 154257163
S-methyl N-[methyl-[1-[methyl-(methylsulfanylcarbonylamino)amino]ethyl]amino]carbamothioate
CID 137417319
potassium;hydride;N-methylacetamide
CID 173418413
sodium methylsulfanylmethanethioate
CID 23687617
S-methyl N-[(E)-prop-1-enyl]carbamothioate
CID 142901647
(E)-3-(methylamino)-4-methylsulfanylpent-3-en-2-one
CID 129153541
methoxymethane;N-methylacetamide;methyl acetate;S-methyl ethanethioate;N-methylmethanamine;methylsulfanylmethane;propan-2-one
CID 158787534
potassium;hydride;methyl N-methylcarbamodithioate
CID 175243197
S-(2-oxoethyl) N-methylcarbamothioate
CID 89037942
1,3-dimethylurea
CID 163366790
carbonyl dichloride;N-methylmethanamine
CID 157447004

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;S-methyl N-methylcarbamothioate?
The IUPAC name of sodium;hydride;S-methyl N-methylcarbamothioate (CID 174959899) is sodium;hydride;S-methyl N-methylcarbamothioate.
What is the SMILES notation for sodium;hydride;S-methyl N-methylcarbamothioate?
The canonical SMILES for sodium;hydride;S-methyl N-methylcarbamothioate is CNC(=O)SC.[H-].[Na+].
What is the InChIKey of sodium;hydride;S-methyl N-methylcarbamothioate?
The InChIKey is VVXDACQVHDXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS.Na.H/c1-4-3(5)6-2;;/h1-2H3,(H,4,5);;/q;+1;-1.
What are the key properties of sodium;hydride;S-methyl N-methylcarbamothioate?
sodium;hydride;S-methyl N-methylcarbamothioate has a molecular weight of 129.16 g/mol, XLogP of -2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;S-methyl N-methylcarbamothioate is sourced from PubChem (CID 174959899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).