methane;bis(S-methyl N-methylcarbamothioate)

C8H22N2O2S2 — CID 159398376

IUPACmethane;bis(S-methyl N-methylcarbamothioate)
SMILESC.C.CNC(=O)SC.CNC(=O)SC
InChIInChI=1S/2C3H7NOS.2CH4/c2*1-4-3(5)6-2;;/h2*1-2H3,(H,4,5);2*1H4
InChIKeyLNAGVHWANRXALA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.65
Rot. Bonds

About methane;bis(S-methyl N-methylcarbamothioate)

methane;bis(S-methyl N-methylcarbamothioate) (PubChem CID 159398376) has the molecular formula C8H22N2O2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is methane;bis(S-methyl N-methylcarbamothioate).

Molecular Properties

Compound Namemethane;bis(S-methyl N-methylcarbamothioate)
PubChem CID159398376
Molecular FormulaC8H22N2O2S2
Molecular Weight242.41 g/mol
Exact Mass242.11
IUPAC Namemethane;bis(S-methyl N-methylcarbamothioate)
SMILESC.C.CNC(=O)SC.CNC(=O)SC
InChIInChI=1S/2C3H7NOS.2CH4/c2*1-4-3(5)6-2;;/h2*1-2H3,(H,4,5);2*1H4
InChIKeyLNAGVHWANRXALA-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;bis(S-methyl N-methylcarbamothioate)?
The IUPAC name of methane;bis(S-methyl N-methylcarbamothioate) (CID 159398376) is methane;bis(S-methyl N-methylcarbamothioate).
What is the SMILES notation for methane;bis(S-methyl N-methylcarbamothioate)?
The canonical SMILES for methane;bis(S-methyl N-methylcarbamothioate) is C.C.CNC(=O)SC.CNC(=O)SC.
What is the InChIKey of methane;bis(S-methyl N-methylcarbamothioate)?
The InChIKey is LNAGVHWANRXALA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7NOS.2CH4/c2*1-4-3(5)6-2;;/h2*1-2H3,(H,4,5);2*1H4.
What are the key properties of methane;bis(S-methyl N-methylcarbamothioate)?
methane;bis(S-methyl N-methylcarbamothioate) has a molecular weight of 242.41 g/mol, XLogP of 2.65, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(S-methyl N-methylcarbamothioate) is sourced from PubChem (CID 159398376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).