(3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene

C8H12S — CID 89263275

IUPAC(3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1CC2=C1S[C@@H](C)C2
InChIInChI=1S/C8H12S/c1-5-3-7-4-6(2)9-8(5)7/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyDBVUWCIJXOEZHN-GDVGLLTNSA-N
MW140.25 g/mol
LogP2.81
Rot. Bonds

About (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene

(3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene (PubChem CID 89263275) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name(3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene
PubChem CID89263275
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name(3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1CC2=C1S[C@@H](C)C2
InChIInChI=1S/C8H12S/c1-5-3-7-4-6(2)9-8(5)7/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyDBVUWCIJXOEZHN-GDVGLLTNSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene 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

6,7-Dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene
CID 59956550
(3S)-3,6,7-trimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene
CID 89263289
2-Ethyl-3,5-dimethyl-4-propan-2-yl-2,3-dihydrothiophene
CID 123173850
3,4-Dibutyl-2,5-dimethyl-2,3-dihydrothiophene
CID 142323394
4-Methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene
CID 171581150
4-Propan-2-yl-2,3-dithiabicyclo[3.2.0]hept-1(5)-ene
CID 172108611
(2S)-2-methyl-4,5-di(propan-2-yl)-2,3-dihydrothiophene
CID 172143244
(2R)-2-methyl-4,5-di(propan-2-yl)-2,3-dihydrothiophene
CID 172143247
(2R)-2-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
CID 172143254
(2S)-2-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
CID 172143257
2-Methyl-4,5-di(propan-2-yl)-2,3-dihydrothiophene
CID 172143261
2-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
CID 172143269

Frequently Asked Questions

What is the IUPAC name of (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene (CID 89263275) is (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene is CC1CC2=C1S[C@@H](C)C2.
What is the InChIKey of (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is DBVUWCIJXOEZHN-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H12S/c1-5-3-7-4-6(2)9-8(5)7/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene?
(3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 140.25 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,7-dimethyl-2-thiabicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 89263275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).