CID 102208465

C13H13S2 — CID 102208465

IUPAC—
SMILESCS[C](SC)c1cccc2ccccc12
InChIInChI=1S/C13H13S2/c1-14-13(15-2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKeyAUIWYWSGNDFULI-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.40
Rot. Bonds3

About CID 102208465

CID 102208465 (PubChem CID 102208465) has the molecular formula C13H13S2 and a molecular weight of 233.38 g/mol.

Molecular Properties

Compound NameCID 102208465
PubChem CID102208465
Molecular FormulaC13H13S2
Molecular Weight233.38 g/mol
Exact Mass233.05
IUPAC Name—
SMILESCS[C](SC)c1cccc2ccccc12
InChIInChI=1S/C13H13S2/c1-14-13(15-2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKeyAUIWYWSGNDFULI-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-ylethylidenezirconium(2+)
CID 158619381
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
(Z)-3-methylsulfanyl-1-naphthalen-1-yl-3-phenylsulfanylprop-2-en-1-one
CID 162401803
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
1-(1-bromoprop-1-en-2-yl)naphthalene
CID 158497087
naphthalene-1-carbonyl iodide
CID 87393513
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
N-(dinaphthalen-1-ylmethylidene)hydroxylamine
CID 88653107
2-tert-butylsulfanyl-1-naphthalen-1-ylethanone
CID 60645589
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976

Frequently Asked Questions

What is the IUPAC name of CID 102208465?
The IUPAC name of CID 102208465 (CID 102208465) is not available.
What is the SMILES notation for CID 102208465?
The canonical SMILES for CID 102208465 is CS[C](SC)c1cccc2ccccc12.
What is the InChIKey of CID 102208465?
The InChIKey is AUIWYWSGNDFULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13S2/c1-14-13(15-2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3.
What are the key properties of CID 102208465?
CID 102208465 has a molecular weight of 233.38 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102208465 is sourced from PubChem (CID 102208465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).