S-tert-butyl N,N-dimethylcarbamothioate

C7H15NOS — CID 71443254

IUPACS-tert-butyl N,N-dimethylcarbamothioate
SMILESCN(C)C(=O)SC(C)(C)C
InChIInChI=1S/C7H15NOS/c1-7(2,3)10-6(9)8(4)5/h1-5H3
InChIKeyFIPYKNLQKMFFAW-UHFFFAOYSA-N
MW161.27 g/mol
LogP2.20
Rot. Bonds

About S-tert-butyl N,N-dimethylcarbamothioate

S-tert-butyl N,N-dimethylcarbamothioate (PubChem CID 71443254) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is S-tert-butyl N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameS-tert-butyl N,N-dimethylcarbamothioate
PubChem CID71443254
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameS-tert-butyl N,N-dimethylcarbamothioate
SMILESCN(C)C(=O)SC(C)(C)C
InChIInChI=1S/C7H15NOS/c1-7(2,3)10-6(9)8(4)5/h1-5H3
InChIKeyFIPYKNLQKMFFAW-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-tert-butyl N,N-dimethylcarbamothioate?
The IUPAC name of S-tert-butyl N,N-dimethylcarbamothioate (CID 71443254) is S-tert-butyl N,N-dimethylcarbamothioate.
What is the SMILES notation for S-tert-butyl N,N-dimethylcarbamothioate?
The canonical SMILES for S-tert-butyl N,N-dimethylcarbamothioate is CN(C)C(=O)SC(C)(C)C.
What is the InChIKey of S-tert-butyl N,N-dimethylcarbamothioate?
The InChIKey is FIPYKNLQKMFFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2,3)10-6(9)8(4)5/h1-5H3.
What are the key properties of S-tert-butyl N,N-dimethylcarbamothioate?
S-tert-butyl N,N-dimethylcarbamothioate has a molecular weight of 161.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-tert-butyl N,N-dimethylcarbamothioate is sourced from PubChem (CID 71443254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).