tert-butyl N-tert-butylmethanimidothioate

C9H19NS — CID 58049912

IUPACtert-butyl N-tert-butylmethanimidothioate
SMILESCC(C)(C)/N=C/SC(C)(C)C
InChIInChI=1S/C9H19NS/c1-8(2,3)10-7-11-9(4,5)6/h7H,1-6H3/b10-7+
InChIKeyMCGLWRGZSMOGSC-JXMROGBWSA-N
MW173.32 g/mol
LogP3.34
Rot. Bonds1

About tert-butyl N-tert-butylmethanimidothioate

tert-butyl N-tert-butylmethanimidothioate (PubChem CID 58049912) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is tert-butyl N-tert-butylmethanimidothioate.

Molecular Properties

Compound Nametert-butyl N-tert-butylmethanimidothioate
PubChem CID58049912
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Nametert-butyl N-tert-butylmethanimidothioate
SMILESCC(C)(C)/N=C/SC(C)(C)C
InChIInChI=1S/C9H19NS/c1-8(2,3)10-7-11-9(4,5)6/h7H,1-6H3/b10-7+
InChIKeyMCGLWRGZSMOGSC-JXMROGBWSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 53.34
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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Related Compounds

N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-lambda4-sulfanyl]methanimine
CID 58200071
methyl N-tert-butylmethanimidothioate
CID 146178508
tert-butyl N-propan-2-ylmethanimidothioate
CID 169040401
CID 101344811
CID 101344811
CID 101344819
CID 101344819
CID 101344821
CID 101344821

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butylmethanimidothioate?
The IUPAC name of tert-butyl N-tert-butylmethanimidothioate (CID 58049912) is tert-butyl N-tert-butylmethanimidothioate.
What is the SMILES notation for tert-butyl N-tert-butylmethanimidothioate?
The canonical SMILES for tert-butyl N-tert-butylmethanimidothioate is CC(C)(C)/N=C/SC(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butylmethanimidothioate?
The InChIKey is MCGLWRGZSMOGSC-JXMROGBWSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2,3)10-7-11-9(4,5)6/h7H,1-6H3/b10-7+.
What are the key properties of tert-butyl N-tert-butylmethanimidothioate?
tert-butyl N-tert-butylmethanimidothioate has a molecular weight of 173.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butylmethanimidothioate is sourced from PubChem (CID 58049912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).