(E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene

C10H19ClS — CID 14912182

IUPAC(E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene
SMILESCC(C)(C)S/C(=C/Cl)C(C)(C)C
InChIInChI=1S/C10H19ClS/c1-9(2,3)8(7-11)12-10(4,5)6/h7H,1-6H3/b8-7+
InChIKeyVFMUFJAVEMILOT-BQYQJAHWSA-N
MW206.78 g/mol
LogP4.64
Rot. Bonds1

About (E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene

(E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene (PubChem CID 14912182) has the molecular formula C10H19ClS and a molecular weight of 206.78 g/mol. Its IUPAC name is (E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene.

Molecular Properties

Compound Name(E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene
PubChem CID14912182
Molecular FormulaC10H19ClS
Molecular Weight206.78 g/mol
Exact Mass206.09
IUPAC Name(E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene
SMILESCC(C)(C)S/C(=C/Cl)C(C)(C)C
InChIInChI=1S/C10H19ClS/c1-9(2,3)8(7-11)12-10(4,5)6/h7H,1-6H3/b8-7+
InChIKeyVFMUFJAVEMILOT-BQYQJAHWSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.78
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene
CID 134933378
(E)-1-chloro-2,3,3-trimethylbut-1-ene
CID 167165936
(Z)-3-tert-butylsulfanyl-2-methylhex-3-en-5-yn-2-ol
CID 12882488
2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 123259234
(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]sulfanylpent-2-ene
CID 170213109
tert-butyl ethanedithioate
CID 160870150
1-tert-butylsulfanylethaneselone
CID 15655216
(1E,3Z)-1,4-bis(tert-butylsulfanyl)-1-iodobuta-1,3-diene
CID 10689611
(1E)-1-tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene
CID 3036424
S-tert-butyl N,N-dimethylcarbamothioate
CID 71443254
potassium tert-butylsulfanylmethanedithioic acid
CID 54601072
2-(2,2-dichloroethenylsulfanyl)-2-methylpropane
CID 12601189

Frequently Asked Questions

What is the IUPAC name of (E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene?
The IUPAC name of (E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene (CID 14912182) is (E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene.
What is the SMILES notation for (E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene?
The canonical SMILES for (E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene is CC(C)(C)S/C(=C/Cl)C(C)(C)C.
What is the InChIKey of (E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene?
The InChIKey is VFMUFJAVEMILOT-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19ClS/c1-9(2,3)8(7-11)12-10(4,5)6/h7H,1-6H3/b8-7+.
What are the key properties of (E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene?
(E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene has a molecular weight of 206.78 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-tert-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene is sourced from PubChem (CID 14912182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).