4-methyl-2-thiatricyclo[3.3.1.13,7]decane

C10H16S — CID 6427691

IUPAC4-methyl-2-thiatricyclo[3.3.1.13,7]decane
SMILESCC1C2CC3CC(C2)SC1C3
InChIInChI=1S/C10H16S/c1-6-8-2-7-3-9(5-8)11-10(6)4-7/h6-10H,2-5H2,1H3
InChIKeyZBBUECPKKSCLQX-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.93
Rot. Bonds

About 4-methyl-2-thiatricyclo[3.3.1.13,7]decane

4-methyl-2-thiatricyclo[3.3.1.13,7]decane (PubChem CID 6427691) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 4-methyl-2-thiatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name4-methyl-2-thiatricyclo[3.3.1.13,7]decane
PubChem CID6427691
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name4-methyl-2-thiatricyclo[3.3.1.13,7]decane
SMILESCC1C2CC3CC(C2)SC1C3
InChIInChI=1S/C10H16S/c1-6-8-2-7-3-9(5-8)11-10(6)4-7/h6-10H,2-5H2,1H3
InChIKeyZBBUECPKKSCLQX-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Thiaadamantane
CID 136105
1-Methyl-2 thiaadamantane
CID 74407407
1,3-Dimethyl-2-thiaadamantane
CID 129773359
1,5-Dimethyl-2-thiaadamantane
CID 129773363
(+)-1,5,5-Trimethyl-2-thiabicyclo[2.2.2]octane
CID 86846
3,3,6-Trimethyl-2-thiabicyclo[2.2.2]octane
CID 163075061
4,8-Dibutyl-2-thiaadamantane
CID 6428489
4,8-Diethyl-2-thiaadamantane
CID 6428491
4,8-Dimethyl-2-thiaadamantane
CID 6428493
4,8-Dipropyl-2-thiaadamantane
CID 6428494
4,8-Dimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
CID 20583873
3,4,8-Trimethyl-11-propan-2-yl-1-thiaspiro[5.5]undecane
CID 20583875

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiatricyclo[3.3.1.13,7]decane?
The IUPAC name of 4-methyl-2-thiatricyclo[3.3.1.13,7]decane (CID 6427691) is 4-methyl-2-thiatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 4-methyl-2-thiatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 4-methyl-2-thiatricyclo[3.3.1.13,7]decane is CC1C2CC3CC(C2)SC1C3.
What is the InChIKey of 4-methyl-2-thiatricyclo[3.3.1.13,7]decane?
The InChIKey is ZBBUECPKKSCLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-6-8-2-7-3-9(5-8)11-10(6)4-7/h6-10H,2-5H2,1H3.
What are the key properties of 4-methyl-2-thiatricyclo[3.3.1.13,7]decane?
4-methyl-2-thiatricyclo[3.3.1.13,7]decane has a molecular weight of 168.30 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 6427691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).