spiro[1H-indole-3,1'-cyclopropane]-2-thione

C10H9NS — CID 169168280

IUPACspiro[1H-indole-3,1'-cyclopropane]-2-thione
SMILESS=C1Nc2ccccc2C12CC2
InChIInChI=1S/C10H9NS/c12-9-10(5-6-10)7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,11,12)
InChIKeyUVXVRWZSDHERAO-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.47
Rot. Bonds

About spiro[1H-indole-3,1'-cyclopropane]-2-thione

spiro[1H-indole-3,1'-cyclopropane]-2-thione (PubChem CID 169168280) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is spiro[1H-indole-3,1'-cyclopropane]-2-thione.

Molecular Properties

Compound Namespiro[1H-indole-3,1'-cyclopropane]-2-thione
PubChem CID169168280
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Namespiro[1H-indole-3,1'-cyclopropane]-2-thione
SMILESS=C1Nc2ccccc2C12CC2
InChIInChI=1S/C10H9NS/c12-9-10(5-6-10)7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,11,12)
InChIKeyUVXVRWZSDHERAO-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
1,2,2a,8b-tetramethyl-4H-cyclobuta[c]quinoline-3-thione
CID 3398163
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
9,9'-spirobi[10H-acridine]
CID 11210173
N-methyl-2-[(3R)-3-methyl-2-sulfanylidene-1H-indol-3-yl]acetamide
CID 125489947
2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one
CID 175909573
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride
CID 23500737
(3S)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-1H-indole-2-thione
CID 101400682
(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole
CID 141076410
2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 59069770
9-ethyl-9-methyl-10H-acridine
CID 22754271

Frequently Asked Questions

What is the IUPAC name of spiro[1H-indole-3,1'-cyclopropane]-2-thione?
The IUPAC name of spiro[1H-indole-3,1'-cyclopropane]-2-thione (CID 169168280) is spiro[1H-indole-3,1'-cyclopropane]-2-thione.
What is the SMILES notation for spiro[1H-indole-3,1'-cyclopropane]-2-thione?
The canonical SMILES for spiro[1H-indole-3,1'-cyclopropane]-2-thione is S=C1Nc2ccccc2C12CC2.
What is the InChIKey of spiro[1H-indole-3,1'-cyclopropane]-2-thione?
The InChIKey is UVXVRWZSDHERAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c12-9-10(5-6-10)7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,11,12).
What are the key properties of spiro[1H-indole-3,1'-cyclopropane]-2-thione?
spiro[1H-indole-3,1'-cyclopropane]-2-thione has a molecular weight of 175.26 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-indole-3,1'-cyclopropane]-2-thione is sourced from PubChem (CID 169168280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).