CID 147862679

C11H20B4S — CID 147862679

IUPAC—
SMILES[B]CC([B])CCCC(S)CCCC([B])C[B]
InChIInChI=1S/C11H20B4S/c12-7-9(14)3-1-5-11(16)6-2-4-10(15)8-13/h9-11,16H,1-8H2
InChIKeyWTCNFVOCEZODKZ-UHFFFAOYSA-N
MW227.60 g/mol
LogP2.71
Rot. Bonds10

About CID 147862679

CID 147862679 (PubChem CID 147862679) has the molecular formula C11H20B4S and a molecular weight of 227.60 g/mol.

Molecular Properties

Compound NameCID 147862679
PubChem CID147862679
Molecular FormulaC11H20B4S
Molecular Weight227.60 g/mol
Exact Mass228.17
IUPAC Name—
SMILES[B]CC([B])CCCC(S)CCCC([B])C[B]
InChIInChI=1S/C11H20B4S/c12-7-9(14)3-1-5-11(16)6-2-4-10(15)8-13/h9-11,16H,1-8H2
InChIKeyWTCNFVOCEZODKZ-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.60
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

undecane-1,4,8,11-tetrathiol
CID 57041789
pentane-1,2,5-trithiol
CID 87093666
nonane-2,6-dithiol
CID 20551714
dodecane-6-thiol
CID 18757094
tetratriacontane-1,17-dithiol
CID 57207387
2,5-bis(sulfanyl)pentan-1-ol
CID 90911589
4,7-bis(sulfanyl)heptanoic acid
CID 87537007
5-sulfanylhexadecane-1,1-diol
CID 57290183
pentane-1,3,5-trithiol
CID 19807040
(3S)-3-sulfanylheptan-1-ol
CID 86617942
1,6-bis(sulfanyl)octane-1,8-diol
CID 139735028
7-aminoheptane-1,3-dithiol
CID 167040747

Frequently Asked Questions

What is the IUPAC name of CID 147862679?
The IUPAC name of CID 147862679 (CID 147862679) is not available.
What is the SMILES notation for CID 147862679?
The canonical SMILES for CID 147862679 is [B]CC([B])CCCC(S)CCCC([B])C[B].
What is the InChIKey of CID 147862679?
The InChIKey is WTCNFVOCEZODKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20B4S/c12-7-9(14)3-1-5-11(16)6-2-4-10(15)8-13/h9-11,16H,1-8H2.
What are the key properties of CID 147862679?
CID 147862679 has a molecular weight of 227.60 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147862679 is sourced from PubChem (CID 147862679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).