4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione

C11H9NS2 — CID 54395958

IUPAC4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione
SMILESS=c1[nH]c(C=Cc2ccccc2)cs1
InChIInChI=1S/C11H9NS2/c13-11-12-10(8-14-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,12,13)
InChIKeyVJYQXXWMXJCRNG-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.98
Rot. Bonds2

About 4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione

4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione (PubChem CID 54395958) has the molecular formula C11H9NS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione
PubChem CID54395958
Molecular FormulaC11H9NS2
Molecular Weight219.33 g/mol
Exact Mass219.02
IUPAC Name4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione
SMILESS=c1[nH]c(C=Cc2ccccc2)cs1
InChIInChI=1S/C11H9NS2/c13-11-12-10(8-14-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,12,13)
InChIKeyVJYQXXWMXJCRNG-UHFFFAOYSA-N
XLogP3.98
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole
CID 102597288
4-(2-sulfanylidene-3H-1,3-thiazol-4-yl)but-3-en-2-one
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6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one
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CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-methyl-5-(2-phenylethenyl)-1H-imidazole
CID 175264708
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
N,N-dimethylmethanamine;stilbene
CID 174368184
CID 148518460
CID 148518460

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione (CID 54395958) is 4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione is S=c1[nH]c(C=Cc2ccccc2)cs1.
What is the InChIKey of 4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione?
The InChIKey is VJYQXXWMXJCRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS2/c13-11-12-10(8-14-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,12,13).
What are the key properties of 4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione?
4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione has a molecular weight of 219.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 54395958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).