chromium(2+);bis(3-ethynylthiophene)

C12H6CrS2 — CID 177452014

IUPACchromium(2+);bis(3-ethynylthiophene)
SMILES[C-]#Cc1ccsc1.[C-]#Cc1ccsc1.[Cr+2]
InChIInChI=1S/2C6H3S.Cr/c2*1-2-6-3-4-7-5-6;/h2*3-5H;/q2*-1;+2
InChIKeyBZOUWNFJNZYVKR-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.37
Rot. Bonds

About chromium(2+);bis(3-ethynylthiophene)

chromium(2+);bis(3-ethynylthiophene) (PubChem CID 177452014) has the molecular formula C12H6CrS2 and a molecular weight of 266.31 g/mol. Its IUPAC name is chromium(2+);bis(3-ethynylthiophene).

Molecular Properties

Compound Namechromium(2+);bis(3-ethynylthiophene)
PubChem CID177452014
Molecular FormulaC12H6CrS2
Molecular Weight266.31 g/mol
Exact Mass265.93
IUPAC Namechromium(2+);bis(3-ethynylthiophene)
SMILES[C-]#Cc1ccsc1.[C-]#Cc1ccsc1.[Cr+2]
InChIInChI=1S/2C6H3S.Cr/c2*1-2-6-3-4-7-5-6;/h2*3-5H;/q2*-1;+2
InChIKeyBZOUWNFJNZYVKR-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-3-ylethynylsilane
CID 174774577
2-thiophen-3-ylethynethiolate
CID 101453743
pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane
CID 58150618
3-(3-phenylprop-1-ynyl)thiophene
CID 135010577
1,4-bis(ethynyl)benzene;iron
CID 177388924
N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide
CID 67328052
3-(6-iodohex-1-ynyl)thiophene
CID 102309735
triphenyl(2-thiophen-3-ylethynyl)phosphanium bromide
CID 166771661
phenyl-[4-(2-thiophen-3-ylethynyl)phenyl]diazene
CID 132503077
3-dec-1-ynylthiophene
CID 67462067
2-(2-thiophen-3-ylethynyl)benzaldehyde
CID 125484862
3-[2-(2-ethenylphenyl)ethynyl]thiophene
CID 150232619

Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(3-ethynylthiophene)?
The IUPAC name of chromium(2+);bis(3-ethynylthiophene) (CID 177452014) is chromium(2+);bis(3-ethynylthiophene).
What is the SMILES notation for chromium(2+);bis(3-ethynylthiophene)?
The canonical SMILES for chromium(2+);bis(3-ethynylthiophene) is [C-]#Cc1ccsc1.[C-]#Cc1ccsc1.[Cr+2].
What is the InChIKey of chromium(2+);bis(3-ethynylthiophene)?
The InChIKey is BZOUWNFJNZYVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H3S.Cr/c2*1-2-6-3-4-7-5-6;/h2*3-5H;/q2*-1;+2.
What are the key properties of chromium(2+);bis(3-ethynylthiophene)?
chromium(2+);bis(3-ethynylthiophene) has a molecular weight of 266.31 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(3-ethynylthiophene) is sourced from PubChem (CID 177452014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).