tert-butylimino-chloro-phenyl-λ4-sulfane

C10H14ClNS — CID 11367903

IUPACtert-butylimino-chloro-phenyl-λ4-sulfane
SMILESCC(C)(C)/N=S(\Cl)c1ccccc1
InChIInChI=1S/C10H14ClNS/c1-10(2,3)12-13(11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyRZJYQVFWNHEPTH-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.80
Rot. Bonds1

About tert-butylimino-chloro-phenyl-λ4-sulfane

tert-butylimino-chloro-phenyl-λ4-sulfane (PubChem CID 11367903) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is tert-butylimino-chloro-phenyl-λ4-sulfane.

Molecular Properties

Compound Nametert-butylimino-chloro-phenyl-λ4-sulfane
PubChem CID11367903
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Nametert-butylimino-chloro-phenyl-λ4-sulfane
SMILESCC(C)(C)/N=S(\Cl)c1ccccc1
InChIInChI=1S/C10H14ClNS/c1-10(2,3)12-13(11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyRZJYQVFWNHEPTH-UHFFFAOYSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butylimino-chloro-phenyl-λ4-sulfane?
The IUPAC name of tert-butylimino-chloro-phenyl-λ4-sulfane (CID 11367903) is tert-butylimino-chloro-phenyl-λ4-sulfane.
What is the SMILES notation for tert-butylimino-chloro-phenyl-λ4-sulfane?
The canonical SMILES for tert-butylimino-chloro-phenyl-λ4-sulfane is CC(C)(C)/N=S(\Cl)c1ccccc1.
What is the InChIKey of tert-butylimino-chloro-phenyl-λ4-sulfane?
The InChIKey is RZJYQVFWNHEPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-10(2,3)12-13(11)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of tert-butylimino-chloro-phenyl-λ4-sulfane?
tert-butylimino-chloro-phenyl-λ4-sulfane has a molecular weight of 215.75 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylimino-chloro-phenyl-λ4-sulfane is sourced from PubChem (CID 11367903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).