CID 58699799

C10H18NS2Y- — CID 58699799

IUPAC—
SMILESC[C-]1[C@@H](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;/t9-;/m1./s1
InChIKeySOJLNOKSCHCYBR-SBSPUUFOSA-N
MW305.30 g/mol
LogP2.48
Rot. Bonds

About CID 58699799

CID 58699799 (PubChem CID 58699799) has the molecular formula C10H18NS2Y- and a molecular weight of 305.30 g/mol.

Molecular Properties

Compound NameCID 58699799
PubChem CID58699799
Molecular FormulaC10H18NS2Y-
Molecular Weight305.30 g/mol
Exact Mass304.99
IUPAC Name—
SMILESC[C-]1[C@@H](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;/t9-;/m1./s1
InChIKeySOJLNOKSCHCYBR-SBSPUUFOSA-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 58699799?
The IUPAC name of CID 58699799 (CID 58699799) is not available.
What is the SMILES notation for CID 58699799?
The canonical SMILES for CID 58699799 is C[C-]1[C@@H](C)N(C)CC12SCCCS2.[Y].
What is the InChIKey of CID 58699799?
The InChIKey is SOJLNOKSCHCYBR-SBSPUUFOSA-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;/t9-;/m1./s1.
What are the key properties of CID 58699799?
CID 58699799 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 58699799 is sourced from PubChem (CID 58699799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).