(3-chloro-5-cyclopropylthiophen-2-yl)sulfanium

C7H8ClS2+ — CID 146765759

IUPAC(3-chloro-5-cyclopropylthiophen-2-yl)sulfanium
SMILES[SH2+]c1sc(C2CC2)cc1Cl
InChIInChI=1S/C7H7ClS2/c8-5-3-6(4-1-2-4)10-7(5)9/h3-4,9H,1-2H2/p+1
InChIKeyRQOVRMXMGNUODJ-UHFFFAOYSA-O
MW191.73 g/mol
LogP2.65
Rot. Bonds1

About (3-chloro-5-cyclopropylthiophen-2-yl)sulfanium

(3-chloro-5-cyclopropylthiophen-2-yl)sulfanium (PubChem CID 146765759) has the molecular formula C7H8ClS2+ and a molecular weight of 191.73 g/mol. Its IUPAC name is (3-chloro-5-cyclopropylthiophen-2-yl)sulfanium.

Molecular Properties

Compound Name(3-chloro-5-cyclopropylthiophen-2-yl)sulfanium
PubChem CID146765759
Molecular FormulaC7H8ClS2+
Molecular Weight191.73 g/mol
Exact Mass190.98
IUPAC Name(3-chloro-5-cyclopropylthiophen-2-yl)sulfanium
SMILES[SH2+]c1sc(C2CC2)cc1Cl
InChIInChI=1S/C7H7ClS2/c8-5-3-6(4-1-2-4)10-7(5)9/h3-4,9H,1-2H2/p+1
InChIKeyRQOVRMXMGNUODJ-UHFFFAOYSA-O
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-cyclopropylthiophen-2-yl)sulfanium?
The IUPAC name of (3-chloro-5-cyclopropylthiophen-2-yl)sulfanium (CID 146765759) is (3-chloro-5-cyclopropylthiophen-2-yl)sulfanium.
What is the SMILES notation for (3-chloro-5-cyclopropylthiophen-2-yl)sulfanium?
The canonical SMILES for (3-chloro-5-cyclopropylthiophen-2-yl)sulfanium is [SH2+]c1sc(C2CC2)cc1Cl.
What is the InChIKey of (3-chloro-5-cyclopropylthiophen-2-yl)sulfanium?
The InChIKey is RQOVRMXMGNUODJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7ClS2/c8-5-3-6(4-1-2-4)10-7(5)9/h3-4,9H,1-2H2/p+1.
What are the key properties of (3-chloro-5-cyclopropylthiophen-2-yl)sulfanium?
(3-chloro-5-cyclopropylthiophen-2-yl)sulfanium has a molecular weight of 191.73 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-cyclopropylthiophen-2-yl)sulfanium is sourced from PubChem (CID 146765759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).