CID 101181296

C10H19ClSZn- — CID 101181296

IUPAC—
SMILESCCCCC(/C=[C]/SC)CC.[Cl-].[Zn]
InChIInChI=1S/C10H19S.ClH.Zn/c1-4-6-7-10(5-2)8-9-11-3;;/h8,10H,4-7H2,1-3H3;1H;/p-1
InChIKeyYIDREKREJYQMEA-UHFFFAOYSA-M
MW272.17 g/mol
LogP0.88
Rot. Bonds6

About CID 101181296

CID 101181296 (PubChem CID 101181296) has the molecular formula C10H19ClSZn- and a molecular weight of 272.17 g/mol.

Molecular Properties

Compound NameCID 101181296
PubChem CID101181296
Molecular FormulaC10H19ClSZn-
Molecular Weight272.17 g/mol
Exact Mass270.02
IUPAC Name—
SMILESCCCCC(/C=[C]/SC)CC.[Cl-].[Zn]
InChIInChI=1S/C10H19S.ClH.Zn/c1-4-6-7-10(5-2)8-9-11-3;;/h8,10H,4-7H2,1-3H3;1H;/p-1
InChIKeyYIDREKREJYQMEA-UHFFFAOYSA-M
XLogP0.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene
CID 11322689
(E)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
CID 12063455
(E)-1-chloro-3-ethyl-1-ethylsulfanylhept-1-ene
CID 102205451
Chlorozinc(1+);2-methylsulfanylethenylcyclohexane
CID 134874013
(Z)-1-ethenylsulfanyl-4-methyloct-1-ene
CID 167200052
(Z)-1-bromo-3-ethyl-1-methylsulfanylhept-1-ene
CID 15530579
CID 101181297
CID 101181297
CID 101181298
CID 101181298
CID 101181299
CID 101181299
(Z)-3-ethyl-1-iodo-1-methylsulfanylhept-1-ene
CID 177426508

Frequently Asked Questions

What is the IUPAC name of CID 101181296?
The IUPAC name of CID 101181296 (CID 101181296) is not available.
What is the SMILES notation for CID 101181296?
The canonical SMILES for CID 101181296 is CCCCC(/C=[C]/SC)CC.[Cl-].[Zn].
What is the InChIKey of CID 101181296?
The InChIKey is YIDREKREJYQMEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19S.ClH.Zn/c1-4-6-7-10(5-2)8-9-11-3;;/h8,10H,4-7H2,1-3H3;1H;/p-1.
What are the key properties of CID 101181296?
CID 101181296 has a molecular weight of 272.17 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101181296 is sourced from PubChem (CID 101181296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).