butyl N-carbamothioyl-N-ethylcarbamate

C8H16N2O2S — CID 174602935

IUPACbutyl N-carbamothioyl-N-ethylcarbamate
SMILESCCCCOC(=O)N(CC)C(N)=S
InChIInChI=1S/C8H16N2O2S/c1-3-5-6-12-8(11)10(4-2)7(9)13/h3-6H2,1-2H3,(H2,9,13)
InChIKeyUPFVCRZRAGBNRS-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.49
Rot. Bonds4

About butyl N-carbamothioyl-N-ethylcarbamate

butyl N-carbamothioyl-N-ethylcarbamate (PubChem CID 174602935) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is butyl N-carbamothioyl-N-ethylcarbamate.

Molecular Properties

Compound Namebutyl N-carbamothioyl-N-ethylcarbamate
PubChem CID174602935
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Namebutyl N-carbamothioyl-N-ethylcarbamate
SMILESCCCCOC(=O)N(CC)C(N)=S
InChIInChI=1S/C8H16N2O2S/c1-3-5-6-12-8(11)10(4-2)7(9)13/h3-6H2,1-2H3,(H2,9,13)
InChIKeyUPFVCRZRAGBNRS-UHFFFAOYSA-N
XLogP1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl N-amino-N-ethylcarbamate
CID 87167247
butyl N,N-bis(sulfanyl)carbamate;nickel
CID 88645134
butyl N-ethyl-N-(methylamino)carbamate
CID 87167389
butyl N,N-dicyclohexylcarbamate
CID 13416417
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;hydroiodide
CID 161347358
pentyl N,N-dimethylcarbamate
CID 18534522
nonoxycarbonyl(pentyl)carbamic acid
CID 54125876
butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate
CID 54054182
butyl N-cyclopropyl-N-piperidin-4-ylcarbamate
CID 90908771
lithium;bis(O-butyl carbamothioate);hydride
CID 175317253

Frequently Asked Questions

What is the IUPAC name of butyl N-carbamothioyl-N-ethylcarbamate?
The IUPAC name of butyl N-carbamothioyl-N-ethylcarbamate (CID 174602935) is butyl N-carbamothioyl-N-ethylcarbamate.
What is the SMILES notation for butyl N-carbamothioyl-N-ethylcarbamate?
The canonical SMILES for butyl N-carbamothioyl-N-ethylcarbamate is CCCCOC(=O)N(CC)C(N)=S.
What is the InChIKey of butyl N-carbamothioyl-N-ethylcarbamate?
The InChIKey is UPFVCRZRAGBNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-5-6-12-8(11)10(4-2)7(9)13/h3-6H2,1-2H3,(H2,9,13).
What are the key properties of butyl N-carbamothioyl-N-ethylcarbamate?
butyl N-carbamothioyl-N-ethylcarbamate has a molecular weight of 204.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-carbamothioyl-N-ethylcarbamate is sourced from PubChem (CID 174602935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).