S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate

C10H7Cl2NOS2 — CID 805258

IUPACS-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate
SMILESO=C(SC1=NCCS1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NOS2/c11-6-1-2-7(8(12)5-6)9(14)16-10-13-3-4-15-10/h1-2,5H,3-4H2
InChIKeyUMWVUVSDDUHJEA-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.97
Rot. Bonds1

About S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate

S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate (PubChem CID 805258) has the molecular formula C10H7Cl2NOS2 and a molecular weight of 292.21 g/mol. Its IUPAC name is S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate.

Molecular Properties

Compound NameS-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate
PubChem CID805258
Molecular FormulaC10H7Cl2NOS2
Molecular Weight292.21 g/mol
Exact Mass290.93
IUPAC NameS-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate
SMILESO=C(SC1=NCCS1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NOS2/c11-6-1-2-7(8(12)5-6)9(14)16-10-13-3-4-15-10/h1-2,5H,3-4H2
InChIKeyUMWVUVSDDUHJEA-UHFFFAOYSA-N
XLogP3.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 9454283
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
sodium (2,4-dichlorobenzoyl)azanide
CID 143659946
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(2,4-dichlorophenyl)-(thiolan-2-yl)methanone
CID 14667238
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
2,4-dichloro-N-(ethylideneamino)benzamide
CID 3608480
3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea
CID 134094710

Frequently Asked Questions

What is the IUPAC name of S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate?
The IUPAC name of S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate (CID 805258) is S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate.
What is the SMILES notation for S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate?
The canonical SMILES for S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate is O=C(SC1=NCCS1)c1ccc(Cl)cc1Cl.
What is the InChIKey of S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate?
The InChIKey is UMWVUVSDDUHJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NOS2/c11-6-1-2-7(8(12)5-6)9(14)16-10-13-3-4-15-10/h1-2,5H,3-4H2.
What are the key properties of S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate?
S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate has a molecular weight of 292.21 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4,5-dihydro-1,3-thiazol-2-yl) 2,4-dichlorobenzenecarbothioate is sourced from PubChem (CID 805258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).