4,4-dimethylthian-3-amine

C7H15NS — CID 59657967

IUPAC4,4-dimethylthian-3-amine
SMILESCC1(C)CCSCC1N
InChIInChI=1S/C7H15NS/c1-7(2)3-4-9-5-6(7)8/h6H,3-5,8H2,1-2H3
InChIKeyYQFOYKIYKCVYMD-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.48
Rot. Bonds

About 4,4-dimethylthian-3-amine

4,4-dimethylthian-3-amine (PubChem CID 59657967) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 4,4-dimethylthian-3-amine.

Molecular Properties

Compound Name4,4-dimethylthian-3-amine
PubChem CID59657967
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name4,4-dimethylthian-3-amine
SMILESCC1(C)CCSCC1N
InChIInChI=1S/C7H15NS/c1-7(2)3-4-9-5-6(7)8/h6H,3-5,8H2,1-2H3
InChIKeyYQFOYKIYKCVYMD-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylthian-3-amine?
The IUPAC name of 4,4-dimethylthian-3-amine (CID 59657967) is 4,4-dimethylthian-3-amine.
What is the SMILES notation for 4,4-dimethylthian-3-amine?
The canonical SMILES for 4,4-dimethylthian-3-amine is CC1(C)CCSCC1N.
What is the InChIKey of 4,4-dimethylthian-3-amine?
The InChIKey is YQFOYKIYKCVYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(2)3-4-9-5-6(7)8/h6H,3-5,8H2,1-2H3.
What are the key properties of 4,4-dimethylthian-3-amine?
4,4-dimethylthian-3-amine has a molecular weight of 145.27 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylthian-3-amine is sourced from PubChem (CID 59657967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).