CID 101181294

C10H19S — CID 101181294

IUPAC—
SMILESCCCCCCC/C=[C]/SC
InChIInChI=1S/C10H19S/c1-3-4-5-6-7-8-9-10-11-2/h9H,3-8H2,1-2H3
InChIKeyAGPFEJFCRWRTMI-UHFFFAOYSA-N
MW171.33 g/mol
LogP4.03
Rot. Bonds7

About CID 101181294

CID 101181294 (PubChem CID 101181294) has the molecular formula C10H19S and a molecular weight of 171.33 g/mol.

Molecular Properties

Compound NameCID 101181294
PubChem CID101181294
Molecular FormulaC10H19S
Molecular Weight171.33 g/mol
Exact Mass171.12
IUPAC Name—
SMILESCCCCCCC/C=[C]/SC
InChIInChI=1S/C10H19S/c1-3-4-5-6-7-8-9-10-11-2/h9H,3-8H2,1-2H3
InChIKeyAGPFEJFCRWRTMI-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-1-methylsulfanyldodec-1-ene
CID 12593926
2-Methylsulfanylnon-1-ene
CID 85970218
1-Octene, 1,1-bis(methylthio)-
CID 4425596
(E)-1-methylselanyl-1-methylsulfanyloct-1-ene
CID 11276786
(E)-1-bromo-1-methylsulfanylnon-1-ene
CID 12063453
(E)-1-iodo-1-methylsulfanylnon-1-ene
CID 12063454
1-Heptene, 1,1-bis(methylthio)-
CID 12221063
(Z)-1-methylselanyl-1-methylsulfanyloct-1-ene
CID 15506043
(Z)-1-bromo-1-methylsulfanylnon-1-ene
CID 15530581
(Z)-1-methylsulfanyldodec-1-ene
CID 100956908
Chlorozinc(1+);1-methylsulfanylnon-1-ene
CID 134893879
(Z)-1-ethylselanyl-1-methylsulfanyloct-1-ene
CID 134923320

Frequently Asked Questions

What is the IUPAC name of CID 101181294?
The IUPAC name of CID 101181294 (CID 101181294) is not available.
What is the SMILES notation for CID 101181294?
The canonical SMILES for CID 101181294 is CCCCCCC/C=[C]/SC.
What is the InChIKey of CID 101181294?
The InChIKey is AGPFEJFCRWRTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19S/c1-3-4-5-6-7-8-9-10-11-2/h9H,3-8H2,1-2H3.
What are the key properties of CID 101181294?
CID 101181294 has a molecular weight of 171.33 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101181294 is sourced from PubChem (CID 101181294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).