N-tert-butylthian-4-amine

C9H19NS — CID 43428244

IUPACN-tert-butylthian-4-amine
SMILESCC(C)(C)NC1CCSCC1
InChIInChI=1S/C9H19NS/c1-9(2,3)10-8-4-6-11-7-5-8/h8,10H,4-7H2,1-3H3
InChIKeyOJOIOWNOIQOBOG-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.27
Rot. Bonds1

About N-tert-butylthian-4-amine

N-tert-butylthian-4-amine (PubChem CID 43428244) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-tert-butylthian-4-amine.

Molecular Properties

Compound NameN-tert-butylthian-4-amine
PubChem CID43428244
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-tert-butylthian-4-amine
SMILESCC(C)(C)NC1CCSCC1
InChIInChI=1S/C9H19NS/c1-9(2,3)10-8-4-6-11-7-5-8/h8,10H,4-7H2,1-3H3
InChIKeyOJOIOWNOIQOBOG-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylthian-4-amine?
The IUPAC name of N-tert-butylthian-4-amine (CID 43428244) is N-tert-butylthian-4-amine.
What is the SMILES notation for N-tert-butylthian-4-amine?
The canonical SMILES for N-tert-butylthian-4-amine is CC(C)(C)NC1CCSCC1.
What is the InChIKey of N-tert-butylthian-4-amine?
The InChIKey is OJOIOWNOIQOBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,3)10-8-4-6-11-7-5-8/h8,10H,4-7H2,1-3H3.
What are the key properties of N-tert-butylthian-4-amine?
N-tert-butylthian-4-amine has a molecular weight of 173.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylthian-4-amine is sourced from PubChem (CID 43428244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).