CID 89390199

C10H21OS3- — CID 89390199

IUPAC—
SMILESCCCCCCC(CCC)O[S-](=S)=S
InChIInChI=1S/C10H21OS3/c1-3-5-6-7-9-10(8-4-2)11-14(12)13/h10H,3-9H2,1-2H3/q-1
InChIKeyGHWVJGWGZRHNQS-UHFFFAOYSA-N
MW253.48 g/mol
LogP3.60
Rot. Bonds9

About CID 89390199

CID 89390199 (PubChem CID 89390199) has the molecular formula C10H21OS3- and a molecular weight of 253.48 g/mol.

Molecular Properties

Compound NameCID 89390199
PubChem CID89390199
Molecular FormulaC10H21OS3-
Molecular Weight253.48 g/mol
Exact Mass253.08
IUPAC Name—
SMILESCCCCCCC(CCC)O[S-](=S)=S
InChIInChI=1S/C10H21OS3/c1-3-5-6-7-9-10(8-4-2)11-14(12)13/h10H,3-9H2,1-2H3/q-1
InChIKeyGHWVJGWGZRHNQS-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-icosan-4-yloxyicosane
CID 87313284
4-hexadecan-5-yloxyhexadecane
CID 57069400
decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
CID 123836653
heptadecan-9-yloxytin(3+)
CID 23451604
ethyl-dimethyl-tridecan-4-yloxysilane
CID 554753
ethyl-dimethyl-tetradecan-4-yloxysilane
CID 534475
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
tridecan-4-yloxymethanediol
CID 160683891
4-(trioxidanyl)undecane
CID 140639892
nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
CID 123647255
tripentadecan-6-yl phosphite
CID 87207088

Frequently Asked Questions

What is the IUPAC name of CID 89390199?
The IUPAC name of CID 89390199 (CID 89390199) is not available.
What is the SMILES notation for CID 89390199?
The canonical SMILES for CID 89390199 is CCCCCCC(CCC)O[S-](=S)=S.
What is the InChIKey of CID 89390199?
The InChIKey is GHWVJGWGZRHNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21OS3/c1-3-5-6-7-9-10(8-4-2)11-14(12)13/h10H,3-9H2,1-2H3/q-1.
What are the key properties of CID 89390199?
CID 89390199 has a molecular weight of 253.48 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89390199 is sourced from PubChem (CID 89390199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).