2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine

C9H21NS3 — CID 5260340

IUPAC2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine
SMILESCSCCN(CCSC)CCSC
InChIInChI=1S/C9H21NS3/c1-11-7-4-10(5-8-12-2)6-9-13-3/h4-9H2,1-3H3
InChIKeyARVPUGFRWXDLLV-UHFFFAOYSA-N
MW239.47 g/mol
LogP2.38
Rot. Bonds9

About 2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine

2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine (PubChem CID 5260340) has the molecular formula C9H21NS3 and a molecular weight of 239.47 g/mol. Its IUPAC name is 2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine
PubChem CID5260340
Molecular FormulaC9H21NS3
Molecular Weight239.47 g/mol
Exact Mass239.08
IUPAC Name2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine
SMILESCSCCN(CCSC)CCSC
InChIInChI=1S/C9H21NS3/c1-11-7-4-10(5-8-12-2)6-9-13-3/h4-9H2,1-3H3
InChIKeyARVPUGFRWXDLLV-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine?
The IUPAC name of 2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine (CID 5260340) is 2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for 2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine is CSCCN(CCSC)CCSC.
What is the InChIKey of 2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine?
The InChIKey is ARVPUGFRWXDLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS3/c1-11-7-4-10(5-8-12-2)6-9-13-3/h4-9H2,1-3H3.
What are the key properties of 2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine?
2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine has a molecular weight of 239.47 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N,N-bis(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 5260340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).