2-methyl-2-phenylthian-4-amine

C12H17NS — CID 167722748

IUPAC2-methyl-2-phenylthian-4-amine
SMILESCC1(c2ccccc2)CC(N)CCS1
InChIInChI=1S/C12H17NS/c1-12(9-11(13)7-8-14-12)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKeyQZDIIJHXNHTAIE-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.76
Rot. Bonds1

About 2-methyl-2-phenylthian-4-amine

2-methyl-2-phenylthian-4-amine (PubChem CID 167722748) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-methyl-2-phenylthian-4-amine.

Molecular Properties

Compound Name2-methyl-2-phenylthian-4-amine
PubChem CID167722748
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-methyl-2-phenylthian-4-amine
SMILESCC1(c2ccccc2)CC(N)CCS1
InChIInChI=1S/C12H17NS/c1-12(9-11(13)7-8-14-12)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKeyQZDIIJHXNHTAIE-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylthian-4-amine?
The IUPAC name of 2-methyl-2-phenylthian-4-amine (CID 167722748) is 2-methyl-2-phenylthian-4-amine.
What is the SMILES notation for 2-methyl-2-phenylthian-4-amine?
The canonical SMILES for 2-methyl-2-phenylthian-4-amine is CC1(c2ccccc2)CC(N)CCS1.
What is the InChIKey of 2-methyl-2-phenylthian-4-amine?
The InChIKey is QZDIIJHXNHTAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-12(9-11(13)7-8-14-12)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3.
What are the key properties of 2-methyl-2-phenylthian-4-amine?
2-methyl-2-phenylthian-4-amine has a molecular weight of 207.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylthian-4-amine is sourced from PubChem (CID 167722748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).