1-Ethyl-1H-pyrrole-2-carbothioamide

HCID 3063497
NotesReactions

Completing data — usually done within a minute

Substructure searchFind similar structures

Basic information

CAS
101001-60-9
Standard SMILES
CCn1cccc1C(N)=S
InChIKey
KHRNOOSECHSVSN-UHFFFAOYSA-N
Molecular formula
C7H10N2S
Average molar mass
154.24 g/mol
Monoisotopic mass
154.05646932

Names & identifiers

Preferred name
1-Ethyl-1H-pyrrole-2-carbothioamide
IUPAC
1-ethylpyrrole-2-carbothioamide

Names & synonyms

1-Ethyl-1H-pyrrole-2-carbothioamide1-Ethylpyrrole-2-carbothioamide1H-Pyrrole-2-carbothioamide, 1-ethyl-DTXSID10905890RefChem:230215DTXCID801334991101001-60-9SCHEMBL10504949KHRNOOSECHSVSN-UHFFFAOYSA-NCS-0119125

Database identifiers

CAS
101001-60-9
PubChem CID
3063497
DTXSID
DTXSID10905890

Properties

Computed structural propertiesFilling in

XLogP
0.8
Topological polar surface area
63 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10

Related reactions

3 records
New reaction record

Compound notes

Loading…