O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride

C7H10ClNOS2 — CID 158366596

IUPACO-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride
SMILESCl.NCCOC(=S)c1cccs1
InChIInChI=1S/C7H9NOS2.ClH/c8-3-4-9-7(10)6-2-1-5-11-6;/h1-2,5H,3-4,8H2;1H
InChIKeyGUCJNQQVGFVQJB-UHFFFAOYSA-N
MW223.75 g/mol
LogP1.82
Rot. Bonds3

About O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride

O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride (PubChem CID 158366596) has the molecular formula C7H10ClNOS2 and a molecular weight of 223.75 g/mol. Its IUPAC name is O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride.

Molecular Properties

Compound NameO-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride
PubChem CID158366596
Molecular FormulaC7H10ClNOS2
Molecular Weight223.75 g/mol
Exact Mass222.99
IUPAC NameO-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride
SMILESCl.NCCOC(=S)c1cccs1
InChIInChI=1S/C7H9NOS2.ClH/c8-3-4-9-7(10)6-2-1-5-11-6;/h1-2,5H,3-4,8H2;1H
InChIKeyGUCJNQQVGFVQJB-UHFFFAOYSA-N
XLogP1.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[(3-ethenylphenyl)methyl] thiophene-2-carbothioate
CID 176729408
N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
CID 82354226
aminomethyl thiophene-2-carboxylate
CID 142796710
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
(E)-4-thiophen-2-ylpent-3-en-1-amine
CID 82074766
2-sulfanylethyl thiophene-2-carboxylate
CID 175040305
2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
CID 52998113
3-(thiophene-2-carbonyloxy)propanoic acid
CID 138555972
1,3-diaminopropan-2-yl thiophene-2-carboxylate
CID 139769696
3-fluoro-2-thiophen-2-ylprop-2-en-1-amine
CID 54057326

Frequently Asked Questions

What is the IUPAC name of O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride?
The IUPAC name of O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride (CID 158366596) is O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride.
What is the SMILES notation for O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride?
The canonical SMILES for O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride is Cl.NCCOC(=S)c1cccs1.
What is the InChIKey of O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride?
The InChIKey is GUCJNQQVGFVQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS2.ClH/c8-3-4-9-7(10)6-2-1-5-11-6;/h1-2,5H,3-4,8H2;1H.
What are the key properties of O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride?
O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride has a molecular weight of 223.75 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-aminoethyl) thiophene-2-carbothioate;hydrochloride is sourced from PubChem (CID 158366596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).