CID 170710438

C10H20BO2PS3 — CID 170710438

IUPAC—
SMILES[B]CCCCOP(S)OC1C(C)SSC1(C)C
InChIInChI=1S/C10H20BO2PS3/c1-8-9(10(2,3)17-16-8)13-14(15)12-7-5-4-6-11/h8-9,15H,4-7H2,1-3H3
InChIKeyANMMYELMCBYNPG-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.47
Rot. Bonds7

About CID 170710438

CID 170710438 (PubChem CID 170710438) has the molecular formula C10H20BO2PS3 and a molecular weight of 310.26 g/mol.

Molecular Properties

Compound NameCID 170710438
PubChem CID170710438
Molecular FormulaC10H20BO2PS3
Molecular Weight310.26 g/mol
Exact Mass310.05
IUPAC Name—
SMILES[B]CCCCOP(S)OC1C(C)SSC1(C)C
InChIInChI=1S/C10H20BO2PS3/c1-8-9(10(2,3)17-16-8)13-14(15)12-7-5-4-6-11/h8-9,15H,4-7H2,1-3H3
InChIKeyANMMYELMCBYNPG-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 170710438?
The IUPAC name of CID 170710438 (CID 170710438) is not available.
What is the SMILES notation for CID 170710438?
The canonical SMILES for CID 170710438 is [B]CCCCOP(S)OC1C(C)SSC1(C)C.
What is the InChIKey of CID 170710438?
The InChIKey is ANMMYELMCBYNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BO2PS3/c1-8-9(10(2,3)17-16-8)13-14(15)12-7-5-4-6-11/h8-9,15H,4-7H2,1-3H3.
What are the key properties of CID 170710438?
CID 170710438 has a molecular weight of 310.26 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170710438 is sourced from PubChem (CID 170710438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).