O-[2-(dimethylamino)ethyl] carbamothioate

C5H12N2OS — CID 54057640

IUPACO-[2-(dimethylamino)ethyl] carbamothioate
SMILESCN(C)CCOC(N)=S
InChIInChI=1S/C5H12N2OS/c1-7(2)3-4-8-5(6)9/h3-4H2,1-2H3,(H2,6,9)
InChIKeyLXJTXNILPWLDPZ-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.19
Rot. Bonds3

About O-[2-(dimethylamino)ethyl] carbamothioate

O-[2-(dimethylamino)ethyl] carbamothioate (PubChem CID 54057640) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is O-[2-(dimethylamino)ethyl] carbamothioate.

Molecular Properties

Compound NameO-[2-(dimethylamino)ethyl] carbamothioate
PubChem CID54057640
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC NameO-[2-(dimethylamino)ethyl] carbamothioate
SMILESCN(C)CCOC(N)=S
InChIInChI=1S/C5H12N2OS/c1-7(2)3-4-8-5(6)9/h3-4H2,1-2H3,(H2,6,9)
InChIKeyLXJTXNILPWLDPZ-UHFFFAOYSA-N
XLogP-0.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
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 O-[2-(dimethylamino)ethyl] carbamothioate?
The IUPAC name of O-[2-(dimethylamino)ethyl] carbamothioate (CID 54057640) is O-[2-(dimethylamino)ethyl] carbamothioate.
What is the SMILES notation for O-[2-(dimethylamino)ethyl] carbamothioate?
The canonical SMILES for O-[2-(dimethylamino)ethyl] carbamothioate is CN(C)CCOC(N)=S.
What is the InChIKey of O-[2-(dimethylamino)ethyl] carbamothioate?
The InChIKey is LXJTXNILPWLDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-7(2)3-4-8-5(6)9/h3-4H2,1-2H3,(H2,6,9).
What are the key properties of O-[2-(dimethylamino)ethyl] carbamothioate?
O-[2-(dimethylamino)ethyl] carbamothioate has a molecular weight of 148.23 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(dimethylamino)ethyl] carbamothioate is sourced from PubChem (CID 54057640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).