3-(5-methylthiophen-2-yl)propanethioamide

C8H11NS2 — CID 83929280

IUPAC3-(5-methylthiophen-2-yl)propanethioamide
SMILESCc1ccc(CCC(N)=S)s1
InChIInChI=1S/C8H11NS2/c1-6-2-3-7(11-6)4-5-8(9)10/h2-3H,4-5H2,1H3,(H2,9,10)
InChIKeyMPCDVSNGKBCJGF-UHFFFAOYSA-N
MW185.32 g/mol
LogP2.28
Rot. Bonds3

About 3-(5-methylthiophen-2-yl)propanethioamide

3-(5-methylthiophen-2-yl)propanethioamide (PubChem CID 83929280) has the molecular formula C8H11NS2 and a molecular weight of 185.32 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)propanethioamide.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)propanethioamide
PubChem CID83929280
Molecular FormulaC8H11NS2
Molecular Weight185.32 g/mol
Exact Mass185.03
IUPAC Name3-(5-methylthiophen-2-yl)propanethioamide
SMILESCc1ccc(CCC(N)=S)s1
InChIInChI=1S/C8H11NS2/c1-6-2-3-7(11-6)4-5-8(9)10/h2-3H,4-5H2,1H3,(H2,9,10)
InChIKeyMPCDVSNGKBCJGF-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)propanethioamide?
The IUPAC name of 3-(5-methylthiophen-2-yl)propanethioamide (CID 83929280) is 3-(5-methylthiophen-2-yl)propanethioamide.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)propanethioamide?
The canonical SMILES for 3-(5-methylthiophen-2-yl)propanethioamide is Cc1ccc(CCC(N)=S)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)propanethioamide?
The InChIKey is MPCDVSNGKBCJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS2/c1-6-2-3-7(11-6)4-5-8(9)10/h2-3H,4-5H2,1H3,(H2,9,10).
What are the key properties of 3-(5-methylthiophen-2-yl)propanethioamide?
3-(5-methylthiophen-2-yl)propanethioamide has a molecular weight of 185.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)propanethioamide is sourced from PubChem (CID 83929280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).