CID 160700659

C6H14NaS — CID 160700659

IUPAC—
SMILESCCCCCCS.[Na]
InChIInChI=1S/C6H14S.Na/c1-2-3-4-5-6-7;/h7H,2-6H2,1H3;
InChIKeyRQONITKUPFSKAV-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.12
Rot. Bonds4

About CID 160700659

CID 160700659 (PubChem CID 160700659) has the molecular formula C6H14NaS and a molecular weight of 141.24 g/mol.

Molecular Properties

Compound NameCID 160700659
PubChem CID160700659
Molecular FormulaC6H14NaS
Molecular Weight141.24 g/mol
Exact Mass141.07
IUPAC Name—
SMILESCCCCCCS.[Na]
InChIInChI=1S/C6H14S.Na/c1-2-3-4-5-6-7;/h7H,2-6H2,1H3;
InChIKeyRQONITKUPFSKAV-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

decane-1-thiol
CID 8917
octadecane-1-thiol;octane-1-thiol
CID 158706451
decane-1-thiol;undecane-1-thiol
CID 174806736
dodecane-1-thiol
CID 8195
dodecane-1-thiol;palladium
CID 174472866
bis(octadecane-1-thiol);zinc
CID 87094547
bis(dodecane-1-thiol);zinc
CID 87094417
cobalt;dodecane-1-thiol
CID 158588427
iron;octane-1-thiol
CID 174785470
dodecane-1-thiol;methanol
CID 160961310
potassium;dodecane-1-thiol;hydride
CID 173164517
bis(pentane-1-thiol);zinc
CID 87496779

Frequently Asked Questions

What is the IUPAC name of CID 160700659?
The IUPAC name of CID 160700659 (CID 160700659) is not available.
What is the SMILES notation for CID 160700659?
The canonical SMILES for CID 160700659 is CCCCCCS.[Na].
What is the InChIKey of CID 160700659?
The InChIKey is RQONITKUPFSKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S.Na/c1-2-3-4-5-6-7;/h7H,2-6H2,1H3;.
What are the key properties of CID 160700659?
CID 160700659 has a molecular weight of 141.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160700659 is sourced from PubChem (CID 160700659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).