S-iodo N-ethyl-N-methylcarbamothioate

C4H8INOS — CID 166684572

IUPACS-iodo N-ethyl-N-methylcarbamothioate
SMILESCCN(C)C(=O)SI
InChIInChI=1S/C4H8INOS/c1-3-6(2)4(7)8-5/h3H2,1-2H3
InChIKeyXJBJKEYXRCZJFI-UHFFFAOYSA-N
MW245.08 g/mol
LogP2.14
Rot. Bonds1

About S-iodo N-ethyl-N-methylcarbamothioate

S-iodo N-ethyl-N-methylcarbamothioate (PubChem CID 166684572) has the molecular formula C4H8INOS and a molecular weight of 245.08 g/mol. Its IUPAC name is S-iodo N-ethyl-N-methylcarbamothioate.

Molecular Properties

Compound NameS-iodo N-ethyl-N-methylcarbamothioate
PubChem CID166684572
Molecular FormulaC4H8INOS
Molecular Weight245.08 g/mol
Exact Mass244.94
IUPAC NameS-iodo N-ethyl-N-methylcarbamothioate
SMILESCCN(C)C(=O)SI
InChIInChI=1S/C4H8INOS/c1-3-6(2)4(7)8-5/h3H2,1-2H3
InChIKeyXJBJKEYXRCZJFI-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
1-ethyl-1-methylurea
CID 3032104
N-ethyl-N-methylcarbamoyl bromide
CID 54570671
N-ethyl-N,2-dimethylbutanamide
CID 89343843
ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide
CID 142224349
N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide
CID 126990968
3-amino-1-ethyl-1-methylurea
CID 43263702
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952
bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722
2-(2-ethoxyethoxy)-N-ethyl-N-methylacetamide
CID 143737672
S-iodo N-methyl-N-(methylcarbamoyl)carbamothioate
CID 149024381

Frequently Asked Questions

What is the IUPAC name of S-iodo N-ethyl-N-methylcarbamothioate?
The IUPAC name of S-iodo N-ethyl-N-methylcarbamothioate (CID 166684572) is S-iodo N-ethyl-N-methylcarbamothioate.
What is the SMILES notation for S-iodo N-ethyl-N-methylcarbamothioate?
The canonical SMILES for S-iodo N-ethyl-N-methylcarbamothioate is CCN(C)C(=O)SI.
What is the InChIKey of S-iodo N-ethyl-N-methylcarbamothioate?
The InChIKey is XJBJKEYXRCZJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INOS/c1-3-6(2)4(7)8-5/h3H2,1-2H3.
What are the key properties of S-iodo N-ethyl-N-methylcarbamothioate?
S-iodo N-ethyl-N-methylcarbamothioate has a molecular weight of 245.08 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-iodo N-ethyl-N-methylcarbamothioate is sourced from PubChem (CID 166684572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).