2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol

C10H23NS2 — CID 575015

IUPAC2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol
SMILESCC(C)N(CCSCCS)C(C)C
InChIInChI=1S/C10H23NS2/c1-9(2)11(10(3)4)5-7-13-8-6-12/h9-10,12H,5-8H2,1-4H3
InChIKeyBVWKCXBNLROVOD-UHFFFAOYSA-N
MW221.43 g/mol
LogP2.77
Rot. Bonds7

About 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol

2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol (PubChem CID 575015) has the molecular formula C10H23NS2 and a molecular weight of 221.43 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol
PubChem CID575015
Molecular FormulaC10H23NS2
Molecular Weight221.43 g/mol
Exact Mass221.13
IUPAC Name2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol
SMILESCC(C)N(CCSCCS)C(C)C
InChIInChI=1S/C10H23NS2/c1-9(2)11(10(3)4)5-7-13-8-6-12/h9-10,12H,5-8H2,1-4H3
InChIKeyBVWKCXBNLROVOD-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol (CID 575015) is 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol is CC(C)N(CCSCCS)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol?
The InChIKey is BVWKCXBNLROVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS2/c1-9(2)11(10(3)4)5-7-13-8-6-12/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol?
2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol has a molecular weight of 221.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethanethiol is sourced from PubChem (CID 575015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).