propan-2-yl N-propan-2-ylmethanimidothioate

C7H15NS — CID 88915719

IUPACpropan-2-yl N-propan-2-ylmethanimidothioate
SMILESCC(C)/N=C/SC(C)C
InChIInChI=1S/C7H15NS/c1-6(2)8-5-9-7(3)4/h5-7H,1-4H3/b8-5+
InChIKeyGTPJAAYQEPDQQN-VMPITWQZSA-N
MW145.27 g/mol
LogP2.56
Rot. Bonds3

About propan-2-yl N-propan-2-ylmethanimidothioate

propan-2-yl N-propan-2-ylmethanimidothioate (PubChem CID 88915719) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is propan-2-yl N-propan-2-ylmethanimidothioate.

Molecular Properties

Compound Namepropan-2-yl N-propan-2-ylmethanimidothioate
PubChem CID88915719
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Namepropan-2-yl N-propan-2-ylmethanimidothioate
SMILESCC(C)/N=C/SC(C)C
InChIInChI=1S/C7H15NS/c1-6(2)8-5-9-7(3)4/h5-7H,1-4H3/b8-5+
InChIKeyGTPJAAYQEPDQQN-VMPITWQZSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
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 propan-2-yl N-propan-2-ylmethanimidothioate?
The IUPAC name of propan-2-yl N-propan-2-ylmethanimidothioate (CID 88915719) is propan-2-yl N-propan-2-ylmethanimidothioate.
What is the SMILES notation for propan-2-yl N-propan-2-ylmethanimidothioate?
The canonical SMILES for propan-2-yl N-propan-2-ylmethanimidothioate is CC(C)/N=C/SC(C)C.
What is the InChIKey of propan-2-yl N-propan-2-ylmethanimidothioate?
The InChIKey is GTPJAAYQEPDQQN-VMPITWQZSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)8-5-9-7(3)4/h5-7H,1-4H3/b8-5+.
What are the key properties of propan-2-yl N-propan-2-ylmethanimidothioate?
propan-2-yl N-propan-2-ylmethanimidothioate has a molecular weight of 145.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-propan-2-ylmethanimidothioate is sourced from PubChem (CID 88915719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).