CID 58699783

C10H18NS2Y- — CID 58699783

IUPAC—
SMILESC[C-]1C(C)N(C)CC12SCCCS2.[Y]
InChIInChI=1S/C10H18NS2.Y/c1-8-9(2)11(3)7-10(8)12-5-4-6-13-10;/h9H,4-7H2,1-3H3;/q-1;
InChIKeySOJLNOKSCHCYBR-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.48
Rot. Bonds

About CID 58699783

CID 58699783 (PubChem CID 58699783) has the molecular formula C10H18NS2Y- and a molecular weight of 305.30 g/mol.

Molecular Properties

Compound NameCID 58699783
PubChem CID58699783
Molecular FormulaC10H18NS2Y-
Molecular Weight305.30 g/mol
Exact Mass304.99
IUPAC Name—
SMILESC[C-]1C(C)N(C)CC12SCCCS2.[Y]
InChIInChI=1S/C10H18NS2.Y/c1-8-9(2)11(3)7-10(8)12-5-4-6-13-10;/h9H,4-7H2,1-3H3;/q-1;
InChIKeySOJLNOKSCHCYBR-UHFFFAOYSA-N
XLogP2.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58699783?
The IUPAC name of CID 58699783 (CID 58699783) is not available.
What is the SMILES notation for CID 58699783?
The canonical SMILES for CID 58699783 is C[C-]1C(C)N(C)CC12SCCCS2.[Y].
What is the InChIKey of CID 58699783?
The InChIKey is SOJLNOKSCHCYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NS2.Y/c1-8-9(2)11(3)7-10(8)12-5-4-6-13-10;/h9H,4-7H2,1-3H3;/q-1;.
What are the key properties of CID 58699783?
CID 58699783 has a molecular weight of 305.30 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58699783 is sourced from PubChem (CID 58699783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).