N-(2,3-dimethylphenyl)thian-4-amine

C13H19NS — CID 43511316

IUPACN-(2,3-dimethylphenyl)thian-4-amine
SMILESCc1cccc(NC2CCSCC2)c1C
InChIInChI=1S/C13H19NS/c1-10-4-3-5-13(11(10)2)14-12-6-8-15-9-7-12/h3-5,12,14H,6-9H2,1-2H3
InChIKeyZMKMPKITJKMJKK-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.61
Rot. Bonds2

About N-(2,3-dimethylphenyl)thian-4-amine

N-(2,3-dimethylphenyl)thian-4-amine (PubChem CID 43511316) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)thian-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)thian-4-amine
PubChem CID43511316
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(2,3-dimethylphenyl)thian-4-amine
SMILESCc1cccc(NC2CCSCC2)c1C
InChIInChI=1S/C13H19NS/c1-10-4-3-5-13(11(10)2)14-12-6-8-15-9-7-12/h3-5,12,14H,6-9H2,1-2H3
InChIKeyZMKMPKITJKMJKK-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)thian-4-amine?
The IUPAC name of N-(2,3-dimethylphenyl)thian-4-amine (CID 43511316) is N-(2,3-dimethylphenyl)thian-4-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)thian-4-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)thian-4-amine is Cc1cccc(NC2CCSCC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)thian-4-amine?
The InChIKey is ZMKMPKITJKMJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-4-3-5-13(11(10)2)14-12-6-8-15-9-7-12/h3-5,12,14H,6-9H2,1-2H3.
What are the key properties of N-(2,3-dimethylphenyl)thian-4-amine?
N-(2,3-dimethylphenyl)thian-4-amine has a molecular weight of 221.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)thian-4-amine is sourced from PubChem (CID 43511316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).