(Z)-1-methylselanyloct-1-ene-1-thiol

C9H18SSe — CID 134873339

IUPAC(Z)-1-methylselanyloct-1-ene-1-thiol
SMILESCCCCCC/C=C(/S)[Se]C
InChIInChI=1S/C9H18SSe/c1-3-4-5-6-7-8-9(10)11-2/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyGYCQYMFGMCPHKM-HJWRWDBZSA-N
MW237.27 g/mol
LogP3.48
Rot. Bonds6

About (Z)-1-methylselanyloct-1-ene-1-thiol

(Z)-1-methylselanyloct-1-ene-1-thiol (PubChem CID 134873339) has the molecular formula C9H18SSe and a molecular weight of 237.27 g/mol. Its IUPAC name is (Z)-1-methylselanyloct-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-1-methylselanyloct-1-ene-1-thiol
PubChem CID134873339
Molecular FormulaC9H18SSe
Molecular Weight237.27 g/mol
Exact Mass238.03
IUPAC Name(Z)-1-methylselanyloct-1-ene-1-thiol
SMILESCCCCCC/C=C(/S)[Se]C
InChIInChI=1S/C9H18SSe/c1-3-4-5-6-7-8-9(10)11-2/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyGYCQYMFGMCPHKM-HJWRWDBZSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(E)-1-methylselanyl-1-methylsulfanyloct-1-ene
CID 11276786
(Z)-1-methylselanyl-1-methylsulfanyloct-1-ene
CID 15506043
lithium (Z)-1-(2-methylpropylselanyl)oct-1-ene-1-thiolate
CID 134873122
lithium (E)-1-methylselanyloct-1-ene-1-thiolate
CID 134873125
lithium (E)-1-(2-methylpropylselanyl)oct-1-ene-1-thiolate
CID 134873312
lithium (Z)-1-methylselanyloct-1-ene-1-thiolate
CID 134873338
(Z)-1-ethylselanyl-1-methylsulfanyloct-1-ene
CID 134923320
Dodec-1-ene-1,1-dithiol
CID 142758314
Non-1-ene-1,1-dithiol
CID 143285888
Oct-1-ene-3,3-dithiol
CID 150377077
Oct-1-ene-2-thiol
CID 151166461
Dec-1-ene-1,1-dithiol
CID 152028904

Frequently Asked Questions

What is the IUPAC name of (Z)-1-methylselanyloct-1-ene-1-thiol?
The IUPAC name of (Z)-1-methylselanyloct-1-ene-1-thiol (CID 134873339) is (Z)-1-methylselanyloct-1-ene-1-thiol.
What is the SMILES notation for (Z)-1-methylselanyloct-1-ene-1-thiol?
The canonical SMILES for (Z)-1-methylselanyloct-1-ene-1-thiol is CCCCCC/C=C(/S)[Se]C.
What is the InChIKey of (Z)-1-methylselanyloct-1-ene-1-thiol?
The InChIKey is GYCQYMFGMCPHKM-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18SSe/c1-3-4-5-6-7-8-9(10)11-2/h8,10H,3-7H2,1-2H3/b9-8-.
What are the key properties of (Z)-1-methylselanyloct-1-ene-1-thiol?
(Z)-1-methylselanyloct-1-ene-1-thiol has a molecular weight of 237.27 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methylselanyloct-1-ene-1-thiol is sourced from PubChem (CID 134873339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).