cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate

C10H16CoO2S2+ — CID 23230282

IUPACcobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate
SMILESC1CCCC1.[CH2-]S/C(=C\[S-])C(=O)OC.[Co+3]
InChIInChI=1S/C5H7O2S2.C5H10.Co/c1-7-5(6)4(3-8)9-2;1-2-4-5-3-1;/h3,8H,2H2,1H3;1-5H2;/q-1;;+3/p-1/b4-3-;;
InChIKeyPKNAHWIQRGDKQY-GSBNXNDCSA-M
MW291.30 g/mol
LogP3.02
Rot. Bonds2

About cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate

cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate (PubChem CID 23230282) has the molecular formula C10H16CoO2S2+ and a molecular weight of 291.30 g/mol. Its IUPAC name is cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate.

Molecular Properties

Compound Namecobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate
PubChem CID23230282
Molecular FormulaC10H16CoO2S2+
Molecular Weight291.30 g/mol
Exact Mass290.99
IUPAC Namecobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate
SMILESC1CCCC1.[CH2-]S/C(=C\[S-])C(=O)OC.[Co+3]
InChIInChI=1S/C5H7O2S2.C5H10.Co/c1-7-5(6)4(3-8)9-2;1-2-4-5-3-1;/h3,8H,2H2,1H3;1-5H2;/q-1;;+3/p-1/b4-3-;;
InChIKeyPKNAHWIQRGDKQY-GSBNXNDCSA-M
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate?
The IUPAC name of cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate (CID 23230282) is cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate.
What is the SMILES notation for cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate?
The canonical SMILES for cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate is C1CCCC1.[CH2-]S/C(=C\[S-])C(=O)OC.[Co+3].
What is the InChIKey of cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate?
The InChIKey is PKNAHWIQRGDKQY-GSBNXNDCSA-M. The full InChI is InChI=1S/C5H7O2S2.C5H10.Co/c1-7-5(6)4(3-8)9-2;1-2-4-5-3-1;/h3,8H,2H2,1H3;1-5H2;/q-1;;+3/p-1/b4-3-;;.
What are the key properties of cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate?
cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate has a molecular weight of 291.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);cyclopentane;(Z)-2-methanidylsulfanyl-3-methoxy-3-oxoprop-1-ene-1-thiolate is sourced from PubChem (CID 23230282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).