CID 88716681

C3H6BS3 — CID 88716681

IUPAC—
SMILESC1SCSCS1.[B]
InChIInChI=1S/C3H6S3.B/c1-4-2-6-3-5-1;/h1-3H2;
InChIKeyUYJQRBZUCAAUHS-UHFFFAOYSA-N
MW149.09 g/mol
LogP1.69
Rot. Bonds

About CID 88716681

CID 88716681 (PubChem CID 88716681) has the molecular formula C3H6BS3 and a molecular weight of 149.09 g/mol.

Molecular Properties

Compound NameCID 88716681
PubChem CID88716681
Molecular FormulaC3H6BS3
Molecular Weight149.09 g/mol
Exact Mass148.97
IUPAC Name—
SMILESC1SCSCS1.[B]
InChIInChI=1S/C3H6S3.B/c1-4-2-6-3-5-1;/h1-3H2;
InChIKeyUYJQRBZUCAAUHS-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.09
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1,3,5,7-tetrathiocane-2-carboxylic acid
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1,3,5,7-tetrathiocane-2-carboxylate
CID 5046220
bis(1,3-dithiolane);hydroxymethanone;nickel
CID 88787775
1,3,5-trithian-2-ylmethanetrithiol
CID 22238736
1,3-dithian-5-ylmethanediol
CID 87303557
1,3-dithiane;urea
CID 21117432
1,3,5-dithiazepane
CID 152746019
bis(dithiirane);methane
CID 161270968
dithiirane;methane
CID 159905497

Frequently Asked Questions

What is the IUPAC name of CID 88716681?
The IUPAC name of CID 88716681 (CID 88716681) is not available.
What is the SMILES notation for CID 88716681?
The canonical SMILES for CID 88716681 is C1SCSCS1.[B].
What is the InChIKey of CID 88716681?
The InChIKey is UYJQRBZUCAAUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S3.B/c1-4-2-6-3-5-1;/h1-3H2;.
What are the key properties of CID 88716681?
CID 88716681 has a molecular weight of 149.09 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88716681 is sourced from PubChem (CID 88716681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).