propyl N,N'-di(propan-2-yl)carbamimidothioate

C10H22N2S — CID 91497568

IUPACpropyl N,N'-di(propan-2-yl)carbamimidothioate
SMILESCCCS/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C10H22N2S/c1-6-7-13-10(11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3,(H,11,12)
InChIKeyMYBMFBJGNIVPHK-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.89
Rot. Bonds4

About propyl N,N'-di(propan-2-yl)carbamimidothioate

propyl N,N'-di(propan-2-yl)carbamimidothioate (PubChem CID 91497568) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is propyl N,N'-di(propan-2-yl)carbamimidothioate.

Molecular Properties

Compound Namepropyl N,N'-di(propan-2-yl)carbamimidothioate
PubChem CID91497568
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Namepropyl N,N'-di(propan-2-yl)carbamimidothioate
SMILESCCCS/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C10H22N2S/c1-6-7-13-10(11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3,(H,11,12)
InChIKeyMYBMFBJGNIVPHK-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl N,N'-di(propan-2-yl)carbamimidothioate?
The IUPAC name of propyl N,N'-di(propan-2-yl)carbamimidothioate (CID 91497568) is propyl N,N'-di(propan-2-yl)carbamimidothioate.
What is the SMILES notation for propyl N,N'-di(propan-2-yl)carbamimidothioate?
The canonical SMILES for propyl N,N'-di(propan-2-yl)carbamimidothioate is CCCS/C(=N\C(C)C)NC(C)C.
What is the InChIKey of propyl N,N'-di(propan-2-yl)carbamimidothioate?
The InChIKey is MYBMFBJGNIVPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-6-7-13-10(11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3,(H,11,12).
What are the key properties of propyl N,N'-di(propan-2-yl)carbamimidothioate?
propyl N,N'-di(propan-2-yl)carbamimidothioate has a molecular weight of 202.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N,N'-di(propan-2-yl)carbamimidothioate is sourced from PubChem (CID 91497568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).