Sulfurous acid, butyl tridecyl ester

PubChem CID: 6420803

Connections displayed (default: 10).

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Compound Synonyms	Sulfurous acid, butyl tridecyl ester, DTXSID901016053, 959067-51-7, DTXCID901474209, sulfurous acid butyl tridecyl ester
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	54.7
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Deep Smiles	CCCCCCCCCCCCCOS=O)OCCCC
Heavy Atom Count	21.0
Classyfire Class	Organooxygen compounds
Isotope Atom Count	0.0
Molecular Complexity	222.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	butyl tridecyl sulfite
Prediction Hob	0.0
Veber Rule	False
Classyfire Superclass	Organic oxygen compounds
Xlogp	7.6
Gsk 4 400 Rule	False
Molecular Formula	C17H36O3S
Prediction Swissadme	0.0
Inchi Key	XRVKVNPMLQRAQW-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	1.0
Logs	-6.959
Rotatable Bond Count	17.0
Logd	4.569
Synonyms	butyl tridecyl ester sulfurous acid
Esol Class	Moderately soluble
Functional Groups	COS(=O)OC
Compound Name	Sulfurous acid, butyl tridecyl ester
Prediction Hob Swissadme	0.0
Exact Mass	320.239
Formal Charge	0.0
Monoisotopic Mass	320.239
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	320.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-5.4744418
Inchi	InChI=1S/C17H36O3S/c1-3-5-7-8-9-10-11-12-13-14-15-17-20-21(18)19-16-6-4-2/h3-17H2,1-2H3
Smiles	CCCCCCCCCCCCCOS(=O)OCCCC
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	0.0
Egan Rule	True

1. Outgoing r'ship FOUND_IN to/from Anthocephalus Indicus (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Astragalus Pterocarpus (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Authocephalus Indicus (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Cocculus Indicus (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Damnacanthus Indicus (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Dipterocarpus Indicus (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Euonymus Indicus (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Hemidesmus Indicus (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Melilotus Indicus (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Ptercarpus Indicus (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Pterocarpus Dalbergioides (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Pterocarpus Erinaceus (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Pterocarpus Grandiflorus (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
15. Outgoing r'ship FOUND_IN to/from Pterocarpus Macrocarpus (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Pterocarpus Marsupium (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Pterocarpus Officinalis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Pterocarpus Santalinus (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748
20. Outgoing r'ship FOUND_IN to/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748
21. Outgoing r'ship FOUND_IN to/from Sphaeranthus Indicus (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Sphaerunthus Indicus (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Tamarindus Indicus (Plant) Rel Props:Reference:

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Sulfurous acid, butyl tridecyl ester

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Phytochemical Properties

Associated Connections 23

Plant Connections 23