ethane;N,5,5-trimethylthian-3-amine

C10H23NS — CID 143246348

IUPACethane;N,5,5-trimethylthian-3-amine
SMILESCC.CNC1CSCC(C)(C)C1
InChIInChI=1S/C8H17NS.C2H6/c1-8(2)4-7(9-3)5-10-6-8;1-2/h7,9H,4-6H2,1-3H3;1-2H3
InChIKeyUGPVIKNYHGOCCV-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.76
Rot. Bonds1

About ethane;N,5,5-trimethylthian-3-amine

ethane;N,5,5-trimethylthian-3-amine (PubChem CID 143246348) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is ethane;N,5,5-trimethylthian-3-amine.

Molecular Properties

Compound Nameethane;N,5,5-trimethylthian-3-amine
PubChem CID143246348
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Nameethane;N,5,5-trimethylthian-3-amine
SMILESCC.CNC1CSCC(C)(C)C1
InChIInChI=1S/C8H17NS.C2H6/c1-8(2)4-7(9-3)5-10-6-8;1-2/h7,9H,4-6H2,1-3H3;1-2H3
InChIKeyUGPVIKNYHGOCCV-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N,5,5-trimethylthian-3-amine?
The IUPAC name of ethane;N,5,5-trimethylthian-3-amine (CID 143246348) is ethane;N,5,5-trimethylthian-3-amine.
What is the SMILES notation for ethane;N,5,5-trimethylthian-3-amine?
The canonical SMILES for ethane;N,5,5-trimethylthian-3-amine is CC.CNC1CSCC(C)(C)C1.
What is the InChIKey of ethane;N,5,5-trimethylthian-3-amine?
The InChIKey is UGPVIKNYHGOCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS.C2H6/c1-8(2)4-7(9-3)5-10-6-8;1-2/h7,9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;N,5,5-trimethylthian-3-amine?
ethane;N,5,5-trimethylthian-3-amine has a molecular weight of 189.37 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,5,5-trimethylthian-3-amine is sourced from PubChem (CID 143246348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).