1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane

C15H21ClS — CID 134896678

IUPAC1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane
SMILESC/C(CS1(Cl)CCCC1)=C(\C)c1ccccc1
InChIInChI=1S/C15H21ClS/c1-13(12-17(16)10-6-7-11-17)14(2)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3/b14-13-
InChIKeyKASUKVPXBQNFGH-YPKPFQOOSA-N
MW268.85 g/mol
LogP5.23
Rot. Bonds3

About 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane

1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane (PubChem CID 134896678) has the molecular formula C15H21ClS and a molecular weight of 268.85 g/mol. Its IUPAC name is 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane.

Molecular Properties

Compound Name1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane
PubChem CID134896678
Molecular FormulaC15H21ClS
Molecular Weight268.85 g/mol
Exact Mass268.11
IUPAC Name1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane
SMILESC/C(CS1(Cl)CCCC1)=C(\C)c1ccccc1
InChIInChI=1S/C15H21ClS/c1-13(12-17(16)10-6-7-11-17)14(2)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3/b14-13-
InChIKeyKASUKVPXBQNFGH-YPKPFQOOSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.85
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylthian-1-yl)-1-phenylethanone
CID 123306691
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
2,3-diphenylbut-2-en-1-ol
CID 91085638
[(E)-3,6-dichloro-6-cyclohexylidenehex-2-en-4-yn-2-yl]benzene
CID 71697418
(E)-2-fluoro-3-phenylbut-2-en-1-ol
CID 102075311
(Z)-2-fluoro-3-phenylbut-2-en-1-ol
CID 13492187
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
ethane;[(E)-3-fluorobut-2-en-2-yl]benzene
CID 168939251
3-phenylbut-2-ene-2-sulfonamide
CID 54510026
(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol
CID 131346173
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
[(Z)-2-chloro-3-phenylbut-2-enyl]-methanidyl-dimethylazanium
CID 148841270

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane?
The IUPAC name of 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane (CID 134896678) is 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane.
What is the SMILES notation for 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane?
The canonical SMILES for 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane is C/C(CS1(Cl)CCCC1)=C(\C)c1ccccc1.
What is the InChIKey of 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane?
The InChIKey is KASUKVPXBQNFGH-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H21ClS/c1-13(12-17(16)10-6-7-11-17)14(2)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3/b14-13-.
What are the key properties of 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane?
1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane has a molecular weight of 268.85 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[(Z)-2-methyl-3-phenylbut-2-enyl]thiolane is sourced from PubChem (CID 134896678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).