(5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium

C8H11ClNS+ — CID 67755123

IUPAC(5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium
SMILESC=[N+](c1ccc(Cl)s1)C(C)C
InChIInChI=1S/C8H11ClNS/c1-6(2)10(3)8-5-4-7(9)11-8/h4-6H,3H2,1-2H3/q+1
InChIKeyCEBWTLAPCNURQV-UHFFFAOYSA-N
MW188.70 g/mol
LogP3.15
Rot. Bonds2

About (5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium

(5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium (PubChem CID 67755123) has the molecular formula C8H11ClNS+ and a molecular weight of 188.70 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium
PubChem CID67755123
Molecular FormulaC8H11ClNS+
Molecular Weight188.70 g/mol
Exact Mass188.03
IUPAC Name(5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium
SMILESC=[N+](c1ccc(Cl)s1)C(C)C
InChIInChI=1S/C8H11ClNS/c1-6(2)10(3)8-5-4-7(9)11-8/h4-6H,3H2,1-2H3/q+1
InChIKeyCEBWTLAPCNURQV-UHFFFAOYSA-N
XLogP3.15
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium?
The IUPAC name of (5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium (CID 67755123) is (5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium?
The canonical SMILES for (5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium is C=[N+](c1ccc(Cl)s1)C(C)C.
What is the InChIKey of (5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium?
The InChIKey is CEBWTLAPCNURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClNS/c1-6(2)10(3)8-5-4-7(9)11-8/h4-6H,3H2,1-2H3/q+1.
What are the key properties of (5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium?
(5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium has a molecular weight of 188.70 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-methylidene-propan-2-ylazanium is sourced from PubChem (CID 67755123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).