(4-thiophen-2-ylthian-4-yl)methanamine

C10H15NS2 — CID 83821365

IUPAC(4-thiophen-2-ylthian-4-yl)methanamine
SMILESNCC1(c2cccs2)CCSCC1
InChIInChI=1S/C10H15NS2/c11-8-10(3-6-12-7-4-10)9-2-1-5-13-9/h1-2,5H,3-4,6-8,11H2
InChIKeyHFQICKNAZDRBOJ-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.47
Rot. Bonds2

About (4-thiophen-2-ylthian-4-yl)methanamine

(4-thiophen-2-ylthian-4-yl)methanamine (PubChem CID 83821365) has the molecular formula C10H15NS2 and a molecular weight of 213.37 g/mol. Its IUPAC name is (4-thiophen-2-ylthian-4-yl)methanamine.

Molecular Properties

Compound Name(4-thiophen-2-ylthian-4-yl)methanamine
PubChem CID83821365
Molecular FormulaC10H15NS2
Molecular Weight213.37 g/mol
Exact Mass213.06
IUPAC Name(4-thiophen-2-ylthian-4-yl)methanamine
SMILESNCC1(c2cccs2)CCSCC1
InChIInChI=1S/C10H15NS2/c11-8-10(3-6-12-7-4-10)9-2-1-5-13-9/h1-2,5H,3-4,6-8,11H2
InChIKeyHFQICKNAZDRBOJ-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-thiophen-2-ylthian-4-yl)methanamine?
The IUPAC name of (4-thiophen-2-ylthian-4-yl)methanamine (CID 83821365) is (4-thiophen-2-ylthian-4-yl)methanamine.
What is the SMILES notation for (4-thiophen-2-ylthian-4-yl)methanamine?
The canonical SMILES for (4-thiophen-2-ylthian-4-yl)methanamine is NCC1(c2cccs2)CCSCC1.
What is the InChIKey of (4-thiophen-2-ylthian-4-yl)methanamine?
The InChIKey is HFQICKNAZDRBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS2/c11-8-10(3-6-12-7-4-10)9-2-1-5-13-9/h1-2,5H,3-4,6-8,11H2.
What are the key properties of (4-thiophen-2-ylthian-4-yl)methanamine?
(4-thiophen-2-ylthian-4-yl)methanamine has a molecular weight of 213.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiophen-2-ylthian-4-yl)methanamine is sourced from PubChem (CID 83821365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).