butyl-chloro-dimethyl-λ4-sulfane

C6H15ClS — CID 123758316

IUPACbutyl-chloro-dimethyl-λ4-sulfane
SMILESCCCCS(C)(C)Cl
InChIInChI=1S/C6H15ClS/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3
InChIKeyNPSSXGYMYDMZRN-UHFFFAOYSA-N
MW154.71 g/mol
LogP3.00
Rot. Bonds3

About butyl-chloro-dimethyl-λ4-sulfane

butyl-chloro-dimethyl-λ4-sulfane (PubChem CID 123758316) has the molecular formula C6H15ClS and a molecular weight of 154.71 g/mol. Its IUPAC name is butyl-chloro-dimethyl-λ4-sulfane.

Molecular Properties

Compound Namebutyl-chloro-dimethyl-λ4-sulfane
PubChem CID123758316
Molecular FormulaC6H15ClS
Molecular Weight154.71 g/mol
Exact Mass154.06
IUPAC Namebutyl-chloro-dimethyl-λ4-sulfane
SMILESCCCCS(C)(C)Cl
InChIInChI=1S/C6H15ClS/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3
InChIKeyNPSSXGYMYDMZRN-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.71
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butyl-chloro-dimethyl-λ4-sulfane?
The IUPAC name of butyl-chloro-dimethyl-λ4-sulfane (CID 123758316) is butyl-chloro-dimethyl-λ4-sulfane.
What is the SMILES notation for butyl-chloro-dimethyl-λ4-sulfane?
The canonical SMILES for butyl-chloro-dimethyl-λ4-sulfane is CCCCS(C)(C)Cl.
What is the InChIKey of butyl-chloro-dimethyl-λ4-sulfane?
The InChIKey is NPSSXGYMYDMZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClS/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3.
What are the key properties of butyl-chloro-dimethyl-λ4-sulfane?
butyl-chloro-dimethyl-λ4-sulfane has a molecular weight of 154.71 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-chloro-dimethyl-λ4-sulfane is sourced from PubChem (CID 123758316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).