(2R)-2-(tert-butyldisulfanyl)-1-chlorobutane

C8H17ClS2 — CID 170145730

IUPAC(2R)-2-(tert-butyldisulfanyl)-1-chlorobutane
SMILESCC[C@H](CCl)SSC(C)(C)C
InChIInChI=1S/C8H17ClS2/c1-5-7(6-9)10-11-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeySFSFXUHLOGPQGJ-SSDOTTSWSA-N
MW212.81 g/mol
LogP4.18
Rot. Bonds4

About (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane

(2R)-2-(tert-butyldisulfanyl)-1-chlorobutane (PubChem CID 170145730) has the molecular formula C8H17ClS2 and a molecular weight of 212.81 g/mol. Its IUPAC name is (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane.

Molecular Properties

Compound Name(2R)-2-(tert-butyldisulfanyl)-1-chlorobutane
PubChem CID170145730
Molecular FormulaC8H17ClS2
Molecular Weight212.81 g/mol
Exact Mass212.05
IUPAC Name(2R)-2-(tert-butyldisulfanyl)-1-chlorobutane
SMILESCC[C@H](CCl)SSC(C)(C)C
InChIInChI=1S/C8H17ClS2/c1-5-7(6-9)10-11-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeySFSFXUHLOGPQGJ-SSDOTTSWSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.81
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(tert-butyldisulfanyl)-1,1,1-trifluoropentane
CID 155048511
2-(tert-butyldisulfanyl)-3-methylpentane
CID 170145664
2-(tert-butyldisulfanyl)-1,1,1-trichloro-3-methylpentane
CID 155048538
3-(tert-butyldisulfanyl)-1,1-dichlorobutane
CID 169030356
1-(tert-butyldisulfanyl)-2,2,2-trifluoroethanethiol
CID 166830926
(2S)-2-(tert-butyldisulfanyl)-1-fluoro-3-methylbutane
CID 155048528
6-[(1R)-1-(tert-butyldisulfanyl)-2,2-dichloroethyl]dodecane
CID 155048568
6-(tert-butyldisulfanyl)-2-methyl-3-methylideneheptane
CID 175618312
2,3-dimethylpentane-2-thiol
CID 90985123
7-[(1R)-1-(tert-butyldisulfanyl)-2-fluoroethyl]tridecane
CID 170145629
propane;N,N,2,3-tetramethylbutan-2-amine
CID 143946968
3-(chloromethyl)-5-ethyl-2,2-dimethylheptane
CID 83138682

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane?
The IUPAC name of (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane (CID 170145730) is (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane.
What is the SMILES notation for (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane?
The canonical SMILES for (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane is CC[C@H](CCl)SSC(C)(C)C.
What is the InChIKey of (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane?
The InChIKey is SFSFXUHLOGPQGJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17ClS2/c1-5-7(6-9)10-11-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane?
(2R)-2-(tert-butyldisulfanyl)-1-chlorobutane has a molecular weight of 212.81 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(tert-butyldisulfanyl)-1-chlorobutane is sourced from PubChem (CID 170145730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).