tert-butyl N-propan-2-ylmethanimidothioate

C8H17NS — CID 169040401

IUPACtert-butyl N-propan-2-ylmethanimidothioate
SMILESCC(C)/N=C/SC(C)(C)C
InChIInChI=1S/C8H17NS/c1-7(2)9-6-10-8(3,4)5/h6-7H,1-5H3/b9-6+
InChIKeyFDNXKIQPSZSZQL-RMKNXTFCSA-N
MW159.30 g/mol
LogP2.95
Rot. Bonds2

About tert-butyl N-propan-2-ylmethanimidothioate

tert-butyl N-propan-2-ylmethanimidothioate (PubChem CID 169040401) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is tert-butyl N-propan-2-ylmethanimidothioate.

Molecular Properties

Compound Nametert-butyl N-propan-2-ylmethanimidothioate
PubChem CID169040401
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nametert-butyl N-propan-2-ylmethanimidothioate
SMILESCC(C)/N=C/SC(C)(C)C
InChIInChI=1S/C8H17NS/c1-7(2)9-6-10-8(3,4)5/h6-7H,1-5H3/b9-6+
InChIKeyFDNXKIQPSZSZQL-RMKNXTFCSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.95
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 tert-butyl N-propan-2-ylmethanimidothioate?
The IUPAC name of tert-butyl N-propan-2-ylmethanimidothioate (CID 169040401) is tert-butyl N-propan-2-ylmethanimidothioate.
What is the SMILES notation for tert-butyl N-propan-2-ylmethanimidothioate?
The canonical SMILES for tert-butyl N-propan-2-ylmethanimidothioate is CC(C)/N=C/SC(C)(C)C.
What is the InChIKey of tert-butyl N-propan-2-ylmethanimidothioate?
The InChIKey is FDNXKIQPSZSZQL-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)9-6-10-8(3,4)5/h6-7H,1-5H3/b9-6+.
What are the key properties of tert-butyl N-propan-2-ylmethanimidothioate?
tert-butyl N-propan-2-ylmethanimidothioate has a molecular weight of 159.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-ylmethanimidothioate is sourced from PubChem (CID 169040401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).