2-imidazol-1-yl-1-thiophen-2-ylethanethiol

C9H10N2S2 — CID 57037505

IUPAC2-imidazol-1-yl-1-thiophen-2-ylethanethiol
SMILESSC(Cn1ccnc1)c1cccs1
InChIInChI=1S/C9H10N2S2/c12-8(9-2-1-5-13-9)6-11-4-3-10-7-11/h1-5,7-8,12H,6H2
InChIKeyXNEYZQNXNXVBBN-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.62
Rot. Bonds3

About 2-imidazol-1-yl-1-thiophen-2-ylethanethiol

2-imidazol-1-yl-1-thiophen-2-ylethanethiol (PubChem CID 57037505) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-thiophen-2-ylethanethiol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-thiophen-2-ylethanethiol
PubChem CID57037505
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name2-imidazol-1-yl-1-thiophen-2-ylethanethiol
SMILESSC(Cn1ccnc1)c1cccs1
InChIInChI=1S/C9H10N2S2/c12-8(9-2-1-5-13-9)6-11-4-3-10-7-11/h1-5,7-8,12H,6H2
InChIKeyXNEYZQNXNXVBBN-UHFFFAOYSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-2-thiophen-2-ylethyl)imidazole
CID 19870532
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
CID 129406015
2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
CID 54958917
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
CID 61324705
N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 43773858
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
2-imidazol-1-yl-1-thiophen-2-ylethanone
CID 14264751
1-(2-imidazol-1-ylethyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 94178888
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
2-imidazol-1-yl-1-thiophen-3-ylethanamine
CID 130835014
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-thiophen-2-ylethanethiol?
The IUPAC name of 2-imidazol-1-yl-1-thiophen-2-ylethanethiol (CID 57037505) is 2-imidazol-1-yl-1-thiophen-2-ylethanethiol.
What is the SMILES notation for 2-imidazol-1-yl-1-thiophen-2-ylethanethiol?
The canonical SMILES for 2-imidazol-1-yl-1-thiophen-2-ylethanethiol is SC(Cn1ccnc1)c1cccs1.
What is the InChIKey of 2-imidazol-1-yl-1-thiophen-2-ylethanethiol?
The InChIKey is XNEYZQNXNXVBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c12-8(9-2-1-5-13-9)6-11-4-3-10-7-11/h1-5,7-8,12H,6H2.
What are the key properties of 2-imidazol-1-yl-1-thiophen-2-ylethanethiol?
2-imidazol-1-yl-1-thiophen-2-ylethanethiol has a molecular weight of 210.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-thiophen-2-ylethanethiol is sourced from PubChem (CID 57037505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).