CID 157091532

C15H15AsOS2 — CID 157091532

IUPAC—
SMILESCCOC(=S)[S-].c1ccc([As+]c2ccccc2)cc1
InChIInChI=1S/C12H10As.C3H6OS2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-3(5)6/h1-10H;2H2,1H3,(H,5,6)/q+1;/p-1
InChIKeyAESKOVIMUVHXTQ-UHFFFAOYSA-M
MW350.34 g/mol
LogP2.20
Rot. Bonds3

About CID 157091532

CID 157091532 (PubChem CID 157091532) has the molecular formula C15H15AsOS2 and a molecular weight of 350.34 g/mol.

Molecular Properties

Compound NameCID 157091532
PubChem CID157091532
Molecular FormulaC15H15AsOS2
Molecular Weight350.34 g/mol
Exact Mass349.98
IUPAC Name—
SMILESCCOC(=S)[S-].c1ccc([As+]c2ccccc2)cc1
InChIInChI=1S/C12H10As.C3H6OS2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-3(5)6/h1-10H;2H2,1H3,(H,5,6)/q+1;/p-1
InChIKeyAESKOVIMUVHXTQ-UHFFFAOYSA-M
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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tris(ethoxymethanedithioate);nickel(3+)
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bis(ethoxymethanedithioate);platinum-191(2+)
CID 10048477
copper bis(ethoxymethanedithioate)
CID 13403244
ethoxy(phenylmethoxy)methanethione
CID 87556980
ethyl acetate;toluene
CID 66707740
ethyl acetate;toluene
CID 70093554
ethoxymethanedithioate;gold(1+);15-phenyl-12-thia-15-phosphoniatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,13-heptaene
CID 163254540
O-ethyl 2-phenylethaneselenoate
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Frequently Asked Questions

What is the IUPAC name of CID 157091532?
The IUPAC name of CID 157091532 (CID 157091532) is not available.
What is the SMILES notation for CID 157091532?
The canonical SMILES for CID 157091532 is CCOC(=S)[S-].c1ccc([As+]c2ccccc2)cc1.
What is the InChIKey of CID 157091532?
The InChIKey is AESKOVIMUVHXTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10As.C3H6OS2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-3(5)6/h1-10H;2H2,1H3,(H,5,6)/q+1;/p-1.
What are the key properties of CID 157091532?
CID 157091532 has a molecular weight of 350.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157091532 is sourced from PubChem (CID 157091532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).