(2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene

C7H9ClS2 — CID 142152053

IUPAC(2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene
SMILESCS/C=C/C1=CC[C@H](Cl)S1
InChIInChI=1S/C7H9ClS2/c1-9-5-4-6-2-3-7(8)10-6/h2,4-5,7H,3H2,1H3/b5-4+/t7-/m1/s1
InChIKeyLVALJLWYOGCGFG-SMMXGFFBSA-N
MW192.74 g/mol
LogP3.45
Rot. Bonds2

About (2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene

(2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene (PubChem CID 142152053) has the molecular formula C7H9ClS2 and a molecular weight of 192.74 g/mol. Its IUPAC name is (2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene.

Molecular Properties

Compound Name(2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene
PubChem CID142152053
Molecular FormulaC7H9ClS2
Molecular Weight192.74 g/mol
Exact Mass191.98
IUPAC Name(2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene
SMILESCS/C=C/C1=CC[C@H](Cl)S1
InChIInChI=1S/C7H9ClS2/c1-9-5-4-6-2-3-7(8)10-6/h2,4-5,7H,3H2,1H3/b5-4+/t7-/m1/s1
InChIKeyLVALJLWYOGCGFG-SMMXGFFBSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.74
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Bis(chloromethyl)-2,5-dihydrothiophene
CID 134896615
3-(chloromethyl)-5,5-dimethyl-2H-thiophene
CID 19003453
2-Chloro-5-methyl-2,3-dihydrothiophene
CID 21655963
2-Chloro-5-propan-2-yl-2,3-dihydrothiophene
CID 68198110
2-Chloroocta-4,6,7-trienyl(trimethyl)-lambda4-sulfane
CID 90723377
6-Chloro-2-propylsulfanylocta-3,5-diene
CID 123157638
5-Chloro-6-methylsulfanylcyclohexa-1,3-diene
CID 123291201
3-Chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-lambda4-sulfane
CID 126684444
3-Chloro-2,5-dimethyl-2,3-dihydrothiophene
CID 146323217
3,4-Dichloro-5-ethenyl-2-methyl-2,3-dihydrothiophene
CID 163481499
3-Chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-lambda4-sulfane
CID 163567415
(2E,4E)-1-chloro-5-propylsulfanylhepta-2,4-diene
CID 173930482

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene?
The IUPAC name of (2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene (CID 142152053) is (2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene.
What is the SMILES notation for (2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene?
The canonical SMILES for (2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene is CS/C=C/C1=CC[C@H](Cl)S1.
What is the InChIKey of (2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene?
The InChIKey is LVALJLWYOGCGFG-SMMXGFFBSA-N. The full InChI is InChI=1S/C7H9ClS2/c1-9-5-4-6-2-3-7(8)10-6/h2,4-5,7H,3H2,1H3/b5-4+/t7-/m1/s1.
What are the key properties of (2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene?
(2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene has a molecular weight of 192.74 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene is sourced from PubChem (CID 142152053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).