azane;prop-2-enyl N,N-diethylcarbamodithioate

C8H18N2S2 — CID 87343206

IUPACazane;prop-2-enyl N,N-diethylcarbamodithioate
SMILESC=CCSC(=S)N(CC)CC.N
InChIInChI=1S/C8H15NS2.H3N/c1-4-7-11-8(10)9(5-2)6-3;/h4H,1,5-7H2,2-3H3;1H3
InChIKeyWRJUYASHSQKFNQ-UHFFFAOYSA-N
MW206.38 g/mol
LogP2.69
Rot. Bonds4

About azane;prop-2-enyl N,N-diethylcarbamodithioate

azane;prop-2-enyl N,N-diethylcarbamodithioate (PubChem CID 87343206) has the molecular formula C8H18N2S2 and a molecular weight of 206.38 g/mol. Its IUPAC name is azane;prop-2-enyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Nameazane;prop-2-enyl N,N-diethylcarbamodithioate
PubChem CID87343206
Molecular FormulaC8H18N2S2
Molecular Weight206.38 g/mol
Exact Mass206.09
IUPAC Nameazane;prop-2-enyl N,N-diethylcarbamodithioate
SMILESC=CCSC(=S)N(CC)CC.N
InChIInChI=1S/C8H15NS2.H3N/c1-4-7-11-8(10)9(5-2)6-3;/h4H,1,5-7H2,2-3H3;1H3
InChIKeyWRJUYASHSQKFNQ-UHFFFAOYSA-N
XLogP2.69
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;prop-2-enyl N,N-diethylcarbamodithioate?
The IUPAC name of azane;prop-2-enyl N,N-diethylcarbamodithioate (CID 87343206) is azane;prop-2-enyl N,N-diethylcarbamodithioate.
What is the SMILES notation for azane;prop-2-enyl N,N-diethylcarbamodithioate?
The canonical SMILES for azane;prop-2-enyl N,N-diethylcarbamodithioate is C=CCSC(=S)N(CC)CC.N.
What is the InChIKey of azane;prop-2-enyl N,N-diethylcarbamodithioate?
The InChIKey is WRJUYASHSQKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2.H3N/c1-4-7-11-8(10)9(5-2)6-3;/h4H,1,5-7H2,2-3H3;1H3.
What are the key properties of azane;prop-2-enyl N,N-diethylcarbamodithioate?
azane;prop-2-enyl N,N-diethylcarbamodithioate has a molecular weight of 206.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;prop-2-enyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 87343206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).