3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene

C10H19BrS — CID 71327604

IUPAC3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene
SMILESCC(C)=C(Br)C(C)SC(C)(C)C
InChIInChI=1S/C10H19BrS/c1-7(2)9(11)8(3)12-10(4,5)6/h8H,1-6H3
InChIKeyUDXSEOZZDLSCGU-UHFFFAOYSA-N
MW251.23 g/mol
LogP4.60
Rot. Bonds2

About 3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene

3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene (PubChem CID 71327604) has the molecular formula C10H19BrS and a molecular weight of 251.23 g/mol. Its IUPAC name is 3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene.

Molecular Properties

Compound Name3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene
PubChem CID71327604
Molecular FormulaC10H19BrS
Molecular Weight251.23 g/mol
Exact Mass250.04
IUPAC Name3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene
SMILESCC(C)=C(Br)C(C)SC(C)(C)C
InChIInChI=1S/C10H19BrS/c1-7(2)9(11)8(3)12-10(4,5)6/h8H,1-6H3
InChIKeyUDXSEOZZDLSCGU-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene?
The IUPAC name of 3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene (CID 71327604) is 3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene.
What is the SMILES notation for 3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene?
The canonical SMILES for 3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene is CC(C)=C(Br)C(C)SC(C)(C)C.
What is the InChIKey of 3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene?
The InChIKey is UDXSEOZZDLSCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrS/c1-7(2)9(11)8(3)12-10(4,5)6/h8H,1-6H3.
What are the key properties of 3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene?
3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene has a molecular weight of 251.23 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene is sourced from PubChem (CID 71327604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).