3-[2-(Trimethylsilyl)ethynyl]thiophene

C9H12SSiCAS 130995-13-0180.34 g/mol

Open in Covalent MOL file
SiS
Alkyne

Properties

Molecular formula
C9H12SSi
Molar mass
180.34 g/mol
Exact mass
180.0429 Da
logP
2.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
130995-13-0
SMILES
C[Si](C)(C)C#Cc1ccsc1
InChIKey
XJUQFUWWPCIZRB-UHFFFAOYSA-N
InChI
InChI=1S/C9H12SSi/c1-11(2,3)7-5-9-4-6-10-8-9/h4,6,8H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Thiophene, 3-[2-(trimethylsilyl)ethynyl]-
  • Silane, trimethyl(3-thienylethynyl)-
  • 3-[(Trimethylsilyl)ethynyl]thiophene
  • Trimethyl(thien-3-ylethynyl)silane
  • 3-(Trimethylsilylethynyl)thiophene

Work with 3-[2-(Trimethylsilyl)ethynyl]thiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Bis[(trimethylsilyl)ethynyl]benzene17938-13-558 % similar 1-Phenyl-2-(trimethylsilyl)acetylene2170-06-152 % similar 1,3-Bis[(trimethylsilyl)ethynyl]benzene38170-80-850 % similar (4-Bromophenylethynyl)trimethylsilane16116-78-247 % similar 3-Thiophenecarbonitrile1641-09-443 % similar 3-Ethynylthiophene67237-53-043 % similar 4-(Trimethylsilyl)ethynylbenzaldehyde77123-57-043 % similar 3-(Trimethylsilylethynyl)pyridine80673-00-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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