N-tert-butyl-1-methylsulfanylmethanimidoyl chloride

C6H12ClNS — CID 13158175

IUPACN-tert-butyl-1-methylsulfanylmethanimidoyl chloride
SMILESCS/C(Cl)=N/C(C)(C)C
InChIInChI=1S/C6H12ClNS/c1-6(2,3)8-5(7)9-4/h1-4H3/b8-5+
InChIKeyOHYSNSXSRMKWNG-VMPITWQZSA-N
MW165.69 g/mol
LogP2.74
Rot. Bonds

About N-tert-butyl-1-methylsulfanylmethanimidoyl chloride

N-tert-butyl-1-methylsulfanylmethanimidoyl chloride (PubChem CID 13158175) has the molecular formula C6H12ClNS and a molecular weight of 165.69 g/mol. Its IUPAC name is N-tert-butyl-1-methylsulfanylmethanimidoyl chloride.

Molecular Properties

Compound NameN-tert-butyl-1-methylsulfanylmethanimidoyl chloride
PubChem CID13158175
Molecular FormulaC6H12ClNS
Molecular Weight165.69 g/mol
Exact Mass165.04
IUPAC NameN-tert-butyl-1-methylsulfanylmethanimidoyl chloride
SMILESCS/C(Cl)=N/C(C)(C)C
InChIInChI=1S/C6H12ClNS/c1-6(2,3)8-5(7)9-4/h1-4H3/b8-5+
InChIKeyOHYSNSXSRMKWNG-VMPITWQZSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.69
LogP ≤ 52.74
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 N-tert-butyl-1-methylsulfanylmethanimidoyl chloride?
The IUPAC name of N-tert-butyl-1-methylsulfanylmethanimidoyl chloride (CID 13158175) is N-tert-butyl-1-methylsulfanylmethanimidoyl chloride.
What is the SMILES notation for N-tert-butyl-1-methylsulfanylmethanimidoyl chloride?
The canonical SMILES for N-tert-butyl-1-methylsulfanylmethanimidoyl chloride is CS/C(Cl)=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-methylsulfanylmethanimidoyl chloride?
The InChIKey is OHYSNSXSRMKWNG-VMPITWQZSA-N. The full InChI is InChI=1S/C6H12ClNS/c1-6(2,3)8-5(7)9-4/h1-4H3/b8-5+.
What are the key properties of N-tert-butyl-1-methylsulfanylmethanimidoyl chloride?
N-tert-butyl-1-methylsulfanylmethanimidoyl chloride has a molecular weight of 165.69 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methylsulfanylmethanimidoyl chloride is sourced from PubChem (CID 13158175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).