(1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium

C8H8ClO2S2+ — CID 172685073

IUPAC(1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium
SMILESCC(O)/C(Cl)=[S+]/C(=O)c1cccs1
InChIInChI=1S/C8H8ClO2S2/c1-5(10)7(9)13-8(11)6-3-2-4-12-6/h2-5,10H,1H3/q+1
InChIKeyAXRULXIAPVSTRF-UHFFFAOYSA-N
MW235.74 g/mol
LogP1.72
Rot. Bonds2

About (1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium

(1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium (PubChem CID 172685073) has the molecular formula C8H8ClO2S2+ and a molecular weight of 235.74 g/mol. Its IUPAC name is (1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium.

Molecular Properties

Compound Name(1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium
PubChem CID172685073
Molecular FormulaC8H8ClO2S2+
Molecular Weight235.74 g/mol
Exact Mass234.96
IUPAC Name(1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium
SMILESCC(O)/C(Cl)=[S+]/C(=O)c1cccs1
InChIInChI=1S/C8H8ClO2S2/c1-5(10)7(9)13-8(11)6-3-2-4-12-6/h2-5,10H,1H3/q+1
InChIKeyAXRULXIAPVSTRF-UHFFFAOYSA-N
XLogP1.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid
CID 122587949
2,3-dimethyl-1-thiophen-2-ylbut-2-en-1-one
CID 131801030
2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205
(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one
CID 93492517
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
1-aminopropan-2-yl thiophene-2-carboxylate
CID 175287982
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
(2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
CID 725360
(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride
CID 10956844
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
[4-(1,1-dihydroxypropan-2-yl)phenyl]-thiophen-2-ylmethanone
CID 70586978

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium?
The IUPAC name of (1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium (CID 172685073) is (1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium.
What is the SMILES notation for (1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium?
The canonical SMILES for (1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium is CC(O)/C(Cl)=[S+]/C(=O)c1cccs1.
What is the InChIKey of (1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium?
The InChIKey is AXRULXIAPVSTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClO2S2/c1-5(10)7(9)13-8(11)6-3-2-4-12-6/h2-5,10H,1H3/q+1.
What are the key properties of (1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium?
(1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium has a molecular weight of 235.74 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-hydroxypropylidene)-(thiophene-2-carbonyl)sulfanium is sourced from PubChem (CID 172685073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).