2-methylsulfanyl-4-propan-2-ylthiophen-3-amine

C8H13NS2 — CID 134511006

IUPAC2-methylsulfanyl-4-propan-2-ylthiophen-3-amine
SMILESCSc1scc(C(C)C)c1N
InChIInChI=1S/C8H13NS2/c1-5(2)6-4-11-8(10-3)7(6)9/h4-5H,9H2,1-3H3
InChIKeyXVFVPMIFXFBYPP-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.18
Rot. Bonds2

About 2-methylsulfanyl-4-propan-2-ylthiophen-3-amine

2-methylsulfanyl-4-propan-2-ylthiophen-3-amine (PubChem CID 134511006) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methylsulfanyl-4-propan-2-ylthiophen-3-amine.

Molecular Properties

Compound Name2-methylsulfanyl-4-propan-2-ylthiophen-3-amine
PubChem CID134511006
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name2-methylsulfanyl-4-propan-2-ylthiophen-3-amine
SMILESCSc1scc(C(C)C)c1N
InChIInChI=1S/C8H13NS2/c1-5(2)6-4-11-8(10-3)7(6)9/h4-5H,9H2,1-3H3
InChIKeyXVFVPMIFXFBYPP-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-propan-2-ylthiophen-3-amine?
The IUPAC name of 2-methylsulfanyl-4-propan-2-ylthiophen-3-amine (CID 134511006) is 2-methylsulfanyl-4-propan-2-ylthiophen-3-amine.
What is the SMILES notation for 2-methylsulfanyl-4-propan-2-ylthiophen-3-amine?
The canonical SMILES for 2-methylsulfanyl-4-propan-2-ylthiophen-3-amine is CSc1scc(C(C)C)c1N.
What is the InChIKey of 2-methylsulfanyl-4-propan-2-ylthiophen-3-amine?
The InChIKey is XVFVPMIFXFBYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-5(2)6-4-11-8(10-3)7(6)9/h4-5H,9H2,1-3H3.
What are the key properties of 2-methylsulfanyl-4-propan-2-ylthiophen-3-amine?
2-methylsulfanyl-4-propan-2-ylthiophen-3-amine has a molecular weight of 187.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-propan-2-ylthiophen-3-amine is sourced from PubChem (CID 134511006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).