azane;O-methyl carbamothioate

C2H8N2OS — CID 162314519

IUPACazane;O-methyl carbamothioate
SMILESCOC(N)=S.N
InChIInChI=1S/C2H5NOS.H3N/c1-4-2(3)5;/h1H3,(H2,3,5);1H3
InChIKeyHRMQWNJXSKLTLW-UHFFFAOYSA-N
MW108.17 g/mol
LogP0.04
Rot. Bonds

About azane;O-methyl carbamothioate

azane;O-methyl carbamothioate (PubChem CID 162314519) has the molecular formula C2H8N2OS and a molecular weight of 108.17 g/mol. Its IUPAC name is azane;O-methyl carbamothioate.

Molecular Properties

Compound Nameazane;O-methyl carbamothioate
PubChem CID162314519
Molecular FormulaC2H8N2OS
Molecular Weight108.17 g/mol
Exact Mass108.04
IUPAC Nameazane;O-methyl carbamothioate
SMILESCOC(N)=S.N
InChIInChI=1S/C2H5NOS.H3N/c1-4-2(3)5;/h1H3,(H2,3,5);1H3
InChIKeyHRMQWNJXSKLTLW-UHFFFAOYSA-N
XLogP0.04
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.17
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;O-methyl carbamothioate?
The IUPAC name of azane;O-methyl carbamothioate (CID 162314519) is azane;O-methyl carbamothioate.
What is the SMILES notation for azane;O-methyl carbamothioate?
The canonical SMILES for azane;O-methyl carbamothioate is COC(N)=S.N.
What is the InChIKey of azane;O-methyl carbamothioate?
The InChIKey is HRMQWNJXSKLTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NOS.H3N/c1-4-2(3)5;/h1H3,(H2,3,5);1H3.
What are the key properties of azane;O-methyl carbamothioate?
azane;O-methyl carbamothioate has a molecular weight of 108.17 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;O-methyl carbamothioate is sourced from PubChem (CID 162314519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).