methyl(thiophen-3-yl)azanium chloride

C5H8ClNS — CID 52987608

IUPACmethyl(thiophen-3-yl)azanium chloride
SMILESC[NH2+]c1ccsc1.[Cl-]
InChIInChI=1S/C5H7NS.ClH/c1-6-5-2-3-7-4-5;/h2-4,6H,1H3;1H
InChIKeyFLMVYEYCNBKTNO-UHFFFAOYSA-N
MW149.65 g/mol
LogP-2.42
Rot. Bonds1

About methyl(thiophen-3-yl)azanium chloride

methyl(thiophen-3-yl)azanium chloride (PubChem CID 52987608) has the molecular formula C5H8ClNS and a molecular weight of 149.65 g/mol. Its IUPAC name is methyl(thiophen-3-yl)azanium chloride.

Molecular Properties

Compound Namemethyl(thiophen-3-yl)azanium chloride
PubChem CID52987608
Molecular FormulaC5H8ClNS
Molecular Weight149.65 g/mol
Exact Mass149.01
IUPAC Namemethyl(thiophen-3-yl)azanium chloride
SMILESC[NH2+]c1ccsc1.[Cl-]
InChIInChI=1S/C5H7NS.ClH/c1-6-5-2-3-7-4-5;/h2-4,6H,1H3;1H
InChIKeyFLMVYEYCNBKTNO-UHFFFAOYSA-N
XLogP-2.42
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.65
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl(thiophen-3-yl)azanium chloride?
The IUPAC name of methyl(thiophen-3-yl)azanium chloride (CID 52987608) is methyl(thiophen-3-yl)azanium chloride.
What is the SMILES notation for methyl(thiophen-3-yl)azanium chloride?
The canonical SMILES for methyl(thiophen-3-yl)azanium chloride is C[NH2+]c1ccsc1.[Cl-].
What is the InChIKey of methyl(thiophen-3-yl)azanium chloride?
The InChIKey is FLMVYEYCNBKTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.ClH/c1-6-5-2-3-7-4-5;/h2-4,6H,1H3;1H.
What are the key properties of methyl(thiophen-3-yl)azanium chloride?
methyl(thiophen-3-yl)azanium chloride has a molecular weight of 149.65 g/mol, XLogP of -2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(thiophen-3-yl)azanium chloride is sourced from PubChem (CID 52987608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).