2-propan-2-yloxyethyl carbamimidothioate

C6H14N2OS — CID 60734570

IUPAC2-propan-2-yloxyethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCOC(C)C
InChIInChI=1S/C6H14N2OS/c1-5(2)9-3-4-10-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)
InChIKeyMHSXWQLECLRKSN-UHFFFAOYSA-N
MW162.26 g/mol
LogP1.04
Rot. Bonds4

About 2-propan-2-yloxyethyl carbamimidothioate

2-propan-2-yloxyethyl carbamimidothioate (PubChem CID 60734570) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl carbamimidothioate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl carbamimidothioate
PubChem CID60734570
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-propan-2-yloxyethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCOC(C)C
InChIInChI=1S/C6H14N2OS/c1-5(2)9-3-4-10-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)
InChIKeyMHSXWQLECLRKSN-UHFFFAOYSA-N
XLogP1.04
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl carbamimidothioate?
The IUPAC name of 2-propan-2-yloxyethyl carbamimidothioate (CID 60734570) is 2-propan-2-yloxyethyl carbamimidothioate.
What is the SMILES notation for 2-propan-2-yloxyethyl carbamimidothioate?
The canonical SMILES for 2-propan-2-yloxyethyl carbamimidothioate is [H]/N=C(\N)SCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl carbamimidothioate?
The InChIKey is MHSXWQLECLRKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-5(2)9-3-4-10-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8).
What are the key properties of 2-propan-2-yloxyethyl carbamimidothioate?
2-propan-2-yloxyethyl carbamimidothioate has a molecular weight of 162.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl carbamimidothioate is sourced from PubChem (CID 60734570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).