CID 101181299

C9H15S — CID 101181299

IUPAC—
SMILESCS/[C]=C/C1CCCCC1
InChIInChI=1S/C9H15S/c1-10-8-7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyPHROMWRVUVRZPT-UHFFFAOYSA-N
MW155.29 g/mol
LogP3.25
Rot. Bonds2

About CID 101181299

CID 101181299 (PubChem CID 101181299) has the molecular formula C9H15S and a molecular weight of 155.29 g/mol.

Molecular Properties

Compound NameCID 101181299
PubChem CID101181299
Molecular FormulaC9H15S
Molecular Weight155.29 g/mol
Exact Mass155.09
IUPAC Name—
SMILESCS/[C]=C/C1CCCCC1
InChIInChI=1S/C9H15S/c1-10-8-7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyPHROMWRVUVRZPT-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methylsulfanylethenylcyclohexane
CID 85970191
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
[(Z)-2-iodo-2-methylsulfanylethenyl]cyclohexane
CID 134987328
[(E)-2-bromo-2-methylsulfanylethenyl]cyclohexane
CID 11207067
tributyl-[(E)-2-cyclohexyl-1-methylsulfanylethenyl]stannane
CID 11259358
[(E)-2-iodo-2-methylsulfanylethenyl]cyclohexane
CID 12063458
[2,2-Bis(ethylsulfanyl)ethenyl]cyclohexane
CID 71354337
lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate
CID 134873206
Chlorozinc(1+);2-methylsulfanylethenylcyclohexane
CID 134874013
[(E)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134919481
[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
CID 134919600
[(E)-2-ethylsulfanyl-2-(2-methylpropylselanyl)ethenyl]cyclohexane
CID 134919703

Frequently Asked Questions

What is the IUPAC name of CID 101181299?
The IUPAC name of CID 101181299 (CID 101181299) is not available.
What is the SMILES notation for CID 101181299?
The canonical SMILES for CID 101181299 is CS/[C]=C/C1CCCCC1.
What is the InChIKey of CID 101181299?
The InChIKey is PHROMWRVUVRZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15S/c1-10-8-7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of CID 101181299?
CID 101181299 has a molecular weight of 155.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101181299 is sourced from PubChem (CID 101181299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).