[(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone

C22H24OS — CID 134972983

IUPAC[(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone
SMILESCC(C)=C1S[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C22H24OS/c1-15(2)21-22(3,4)18(19(23)16-11-7-5-8-12-16)20(24-21)17-13-9-6-10-14-17/h5-14,18,20H,1-4H3/t18-,20-/m0/s1
InChIKeySFVVWHFJVWNDHU-ICSRJNTNSA-N
MW336.50 g/mol
LogP6.29
Rot. Bonds3

About [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone

[(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone (PubChem CID 134972983) has the molecular formula C22H24OS and a molecular weight of 336.50 g/mol. Its IUPAC name is [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone
PubChem CID134972983
Molecular FormulaC22H24OS
Molecular Weight336.50 g/mol
Exact Mass336.15
IUPAC Name[(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone
SMILESCC(C)=C1S[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C1(C)C
InChIInChI=1S/C22H24OS/c1-15(2)21-22(3,4)18(19(23)16-11-7-5-8-12-16)20(24-21)17-13-9-6-10-14-17/h5-14,18,20H,1-4H3/t18-,20-/m0/s1
InChIKeySFVVWHFJVWNDHU-ICSRJNTNSA-N
XLogP6.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.50
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone 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

S-(Phenylmethyl) benzenecarbothioate
CID 25954
Phenacyl phenyl sulfide
CID 85338
1-Phenyl-2-((phenylmethyl)thio)ethan-1-one
CID 75479
3-Phenylbutyrophenone
CID 137065
2-(Methylsulfanyl)-1-phenylethan-1-one
CID 220651
1,2-Diphenylbutan-1-one
CID 297636
S-Octyl benzenecarbothioate
CID 65602
(2Z,4Z)-2,4-bis[(3-methylphenyl)methylidene]thiolan-3-one
CID 6142865
2-Decylsulfanylnaphthalene-1,4-dione
CID 71654397
Mls002693576
CID 248894
1-Phenylphenacyl sulfide
CID 315912
3-Isopropyl-4-(phenylthio)naphthalene-1,2-dione
CID 44409669

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone?
The IUPAC name of [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone (CID 134972983) is [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone.
What is the SMILES notation for [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone?
The canonical SMILES for [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone is CC(C)=C1S[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C1(C)C.
What is the InChIKey of [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone?
The InChIKey is SFVVWHFJVWNDHU-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H24OS/c1-15(2)21-22(3,4)18(19(23)16-11-7-5-8-12-16)20(24-21)17-13-9-6-10-14-17/h5-14,18,20H,1-4H3/t18-,20-/m0/s1.
What are the key properties of [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone?
[(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone has a molecular weight of 336.50 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-4,4-dimethyl-2-phenyl-5-propan-2-ylidenethiolan-3-yl]-phenylmethanone is sourced from PubChem (CID 134972983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).