(2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride

C9H7ClOS2 — CID 97049771

IUPAC(2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride
SMILESO=C(Cl)[C@@]1(c2cccs2)CC=CS1
InChIInChI=1S/C9H7ClOS2/c10-8(11)9(4-2-6-13-9)7-3-1-5-12-7/h1-3,5-6H,4H2/t9-/m0/s1
InChIKeyOBYAYOYVFFDERP-VIFPVBQESA-N
MW230.74 g/mol
LogP3.36
Rot. Bonds2

About (2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride

(2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride (PubChem CID 97049771) has the molecular formula C9H7ClOS2 and a molecular weight of 230.74 g/mol. Its IUPAC name is (2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride.

Molecular Properties

Compound Name(2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride
PubChem CID97049771
Molecular FormulaC9H7ClOS2
Molecular Weight230.74 g/mol
Exact Mass229.96
IUPAC Name(2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride
SMILESO=C(Cl)[C@@]1(c2cccs2)CC=CS1
InChIInChI=1S/C9H7ClOS2/c10-8(11)9(4-2-6-13-9)7-3-1-5-12-7/h1-3,5-6H,4H2/t9-/m0/s1
InChIKeyOBYAYOYVFFDERP-VIFPVBQESA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone
CID 67722514
2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone
CID 131564842
2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone
CID 46913895
dimethyl-(1-thiophen-2-ylcyclopentyl)phosphane
CID 175478695
trans-(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropane-1-carboxylic acid
CID 94252878
(2R,4R)-1-thiophen-2-ylbicyclo[1.1.0]butane-2,4-dicarboxylic acid
CID 135362190
1-thiophen-2-ylcycloheptan-1-ol
CID 61103027
4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid
CID 83709599
2-(3-thiophen-2-yl-2H-thiophen-3-yl)prop-2-enoic acid
CID 174629590
N',N'-dimethyl-1-thiophen-2-ylcyclopropane-1-carbohydrazide
CID 116848288
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
N,N-diethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698462

Frequently Asked Questions

What is the IUPAC name of (2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride?
The IUPAC name of (2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride (CID 97049771) is (2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride.
What is the SMILES notation for (2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride?
The canonical SMILES for (2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride is O=C(Cl)[C@@]1(c2cccs2)CC=CS1.
What is the InChIKey of (2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride?
The InChIKey is OBYAYOYVFFDERP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H7ClOS2/c10-8(11)9(4-2-6-13-9)7-3-1-5-12-7/h1-3,5-6H,4H2/t9-/m0/s1.
What are the key properties of (2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride?
(2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride has a molecular weight of 230.74 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-thiophen-2-yl-3H-thiophene-2-carbonyl chloride is sourced from PubChem (CID 97049771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).