N-(ethoxymethyl)carbamothioyl chloride

C4H8ClNOS — CID 135275966

IUPACN-(ethoxymethyl)carbamothioyl chloride
SMILESCCOCNC(=S)Cl
InChIInChI=1S/C4H8ClNOS/c1-2-7-3-6-4(5)8/h2-3H2,1H3,(H,6,8)
InChIKeyFIMRGUSNDYGSOO-UHFFFAOYSA-N
MW153.63 g/mol
LogP1.09
Rot. Bonds3

About N-(ethoxymethyl)carbamothioyl chloride

N-(ethoxymethyl)carbamothioyl chloride (PubChem CID 135275966) has the molecular formula C4H8ClNOS and a molecular weight of 153.63 g/mol. Its IUPAC name is N-(ethoxymethyl)carbamothioyl chloride.

Molecular Properties

Compound NameN-(ethoxymethyl)carbamothioyl chloride
PubChem CID135275966
Molecular FormulaC4H8ClNOS
Molecular Weight153.63 g/mol
Exact Mass153.00
IUPAC NameN-(ethoxymethyl)carbamothioyl chloride
SMILESCCOCNC(=S)Cl
InChIInChI=1S/C4H8ClNOS/c1-2-7-3-6-4(5)8/h2-3H2,1H3,(H,6,8)
InChIKeyFIMRGUSNDYGSOO-UHFFFAOYSA-N
XLogP1.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)carbamothioyl chloride?
The IUPAC name of N-(ethoxymethyl)carbamothioyl chloride (CID 135275966) is N-(ethoxymethyl)carbamothioyl chloride.
What is the SMILES notation for N-(ethoxymethyl)carbamothioyl chloride?
The canonical SMILES for N-(ethoxymethyl)carbamothioyl chloride is CCOCNC(=S)Cl.
What is the InChIKey of N-(ethoxymethyl)carbamothioyl chloride?
The InChIKey is FIMRGUSNDYGSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNOS/c1-2-7-3-6-4(5)8/h2-3H2,1H3,(H,6,8).
What are the key properties of N-(ethoxymethyl)carbamothioyl chloride?
N-(ethoxymethyl)carbamothioyl chloride has a molecular weight of 153.63 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)carbamothioyl chloride is sourced from PubChem (CID 135275966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).