(4-ethylthian-4-yl)methanamine

C8H17NS — CID 83815682

IUPAC(4-ethylthian-4-yl)methanamine
SMILESCCC1(CN)CCSCC1
InChIInChI=1S/C8H17NS/c1-2-8(7-9)3-5-10-6-4-8/h2-7,9H2,1H3
InChIKeyOCGIKEXHYLPAOZ-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.87
Rot. Bonds2

About (4-ethylthian-4-yl)methanamine

(4-ethylthian-4-yl)methanamine (PubChem CID 83815682) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (4-ethylthian-4-yl)methanamine.

Molecular Properties

Compound Name(4-ethylthian-4-yl)methanamine
PubChem CID83815682
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(4-ethylthian-4-yl)methanamine
SMILESCCC1(CN)CCSCC1
InChIInChI=1S/C8H17NS/c1-2-8(7-9)3-5-10-6-4-8/h2-7,9H2,1H3
InChIKeyOCGIKEXHYLPAOZ-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthian-4-yl)methanamine?
The IUPAC name of (4-ethylthian-4-yl)methanamine (CID 83815682) is (4-ethylthian-4-yl)methanamine.
What is the SMILES notation for (4-ethylthian-4-yl)methanamine?
The canonical SMILES for (4-ethylthian-4-yl)methanamine is CCC1(CN)CCSCC1.
What is the InChIKey of (4-ethylthian-4-yl)methanamine?
The InChIKey is OCGIKEXHYLPAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-8(7-9)3-5-10-6-4-8/h2-7,9H2,1H3.
What are the key properties of (4-ethylthian-4-yl)methanamine?
(4-ethylthian-4-yl)methanamine has a molecular weight of 159.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthian-4-yl)methanamine is sourced from PubChem (CID 83815682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).