O-ethyl N-(2-phenylpropan-2-yl)carbamothioate

C12H17NOS — CID 101474964

IUPACO-ethyl N-(2-phenylpropan-2-yl)carbamothioate
SMILESCCOC(=S)NC(C)(C)c1ccccc1
InChIInChI=1S/C12H17NOS/c1-4-14-11(15)13-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,13,15)
InChIKeyYKTRUXNSXXNNNA-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.83
Rot. Bonds3

About O-ethyl N-(2-phenylpropan-2-yl)carbamothioate

O-ethyl N-(2-phenylpropan-2-yl)carbamothioate (PubChem CID 101474964) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is O-ethyl N-(2-phenylpropan-2-yl)carbamothioate.

Molecular Properties

Compound NameO-ethyl N-(2-phenylpropan-2-yl)carbamothioate
PubChem CID101474964
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameO-ethyl N-(2-phenylpropan-2-yl)carbamothioate
SMILESCCOC(=S)NC(C)(C)c1ccccc1
InChIInChI=1S/C12H17NOS/c1-4-14-11(15)13-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,13,15)
InChIKeyYKTRUXNSXXNNNA-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-ethyl-3-(2-phenylpropan-2-yl)urea
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O-ethyl tritylsulfanylmethanethioate
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2-iodo-N-(2-phenylpropan-2-yl)acetamide
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ethyl 2-hydroxy-2,2-diphenylethanimidate
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2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
O-ethyl N-phenylcarbamothioate;1-(2-phenylpropan-2-yloxy)adamantane
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2-phenylpropan-2-yl carbamate;propane
CID 175117543

Frequently Asked Questions

What is the IUPAC name of O-ethyl N-(2-phenylpropan-2-yl)carbamothioate?
The IUPAC name of O-ethyl N-(2-phenylpropan-2-yl)carbamothioate (CID 101474964) is O-ethyl N-(2-phenylpropan-2-yl)carbamothioate.
What is the SMILES notation for O-ethyl N-(2-phenylpropan-2-yl)carbamothioate?
The canonical SMILES for O-ethyl N-(2-phenylpropan-2-yl)carbamothioate is CCOC(=S)NC(C)(C)c1ccccc1.
What is the InChIKey of O-ethyl N-(2-phenylpropan-2-yl)carbamothioate?
The InChIKey is YKTRUXNSXXNNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-4-14-11(15)13-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,13,15).
What are the key properties of O-ethyl N-(2-phenylpropan-2-yl)carbamothioate?
O-ethyl N-(2-phenylpropan-2-yl)carbamothioate has a molecular weight of 223.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl N-(2-phenylpropan-2-yl)carbamothioate is sourced from PubChem (CID 101474964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).