ethoxymethyl carbamimidothioate

C4H10N2OS — CID 55288698

IUPACethoxymethyl carbamimidothioate
SMILES[H]/N=C(/N)SCOCC
InChIInChI=1S/C4H10N2OS/c1-2-7-3-8-4(5)6/h2-3H2,1H3,(H3,5,6)
InChIKeyRJLMOMMCHOTTNO-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.61
Rot. Bonds3

About ethoxymethyl carbamimidothioate

ethoxymethyl carbamimidothioate (PubChem CID 55288698) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is ethoxymethyl carbamimidothioate.

Molecular Properties

Compound Nameethoxymethyl carbamimidothioate
PubChem CID55288698
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Nameethoxymethyl carbamimidothioate
SMILES[H]/N=C(/N)SCOCC
InChIInChI=1S/C4H10N2OS/c1-2-7-3-8-4(5)6/h2-3H2,1H3,(H3,5,6)
InChIKeyRJLMOMMCHOTTNO-UHFFFAOYSA-N
XLogP0.61
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 116346
CID 116346
CID 116347
CID 116347
CID 92003756
CID 92003756
CID 159147985
CID 159147985
CID 172815481
CID 172815481
CID 437562
CID 437562
CID 4101826
CID 4101826
CID 4230824
CID 4230824
CID 54604716
CID 54604716
CID 55288893
CID 55288893
CID 55288894
CID 55288894
CID 55290988
CID 55290988

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl carbamimidothioate?
The IUPAC name of ethoxymethyl carbamimidothioate (CID 55288698) is ethoxymethyl carbamimidothioate.
What is the SMILES notation for ethoxymethyl carbamimidothioate?
The canonical SMILES for ethoxymethyl carbamimidothioate is [H]/N=C(/N)SCOCC.
What is the InChIKey of ethoxymethyl carbamimidothioate?
The InChIKey is RJLMOMMCHOTTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-2-7-3-8-4(5)6/h2-3H2,1H3,(H3,5,6).
What are the key properties of ethoxymethyl carbamimidothioate?
ethoxymethyl carbamimidothioate has a molecular weight of 134.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl carbamimidothioate is sourced from PubChem (CID 55288698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).