CID 10906028

C6H11S — CID 10906028

IUPAC—
SMILES[CH2][CH][CH]CCSC
InChIInChI=1S/C6H11S/c1-3-4-5-6-7-2/h3-4H,1,5-6H2,2H3
InChIKeyQKKPMHLPGFXOTR-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.98
Rot. Bonds4

About CID 10906028

CID 10906028 (PubChem CID 10906028) has the molecular formula C6H11S and a molecular weight of 115.22 g/mol.

Molecular Properties

Compound NameCID 10906028
PubChem CID10906028
Molecular FormulaC6H11S
Molecular Weight115.22 g/mol
Exact Mass115.06
IUPAC Name—
SMILES[CH2][CH][CH]CCSC
InChIInChI=1S/C6H11S/c1-3-4-5-6-7-2/h3-4H,1,5-6H2,2H3
InChIKeyQKKPMHLPGFXOTR-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.98
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

3-methylsulfanylpropylidenephosphane
CID 89278906
(NE)-N-(3-methylsulfanylpropylidene)hydroxylamine
CID 15926133
7-methylsulfanylhept-2-ene
CID 91131968
ethenyl-tris(2-methylsulfanylethoxy)silane
CID 54468266
formaldehyde;1-methoxy-2-methylsulfanylethane
CID 159879063
methanol;2-methylsulfanylethanamine
CID 159726964
lithium (E)-5-methylsulfanylpent-2-enoate
CID 155859064
(E)-3-methyl-6-methylsulfanylhex-2-ene
CID 87187682
(E)-2-hydroxy-4-methylsulfanylbut-1-en-1-olate
CID 154603748
CID 58608466
CID 58608466
2-ethylsulfanyl-4-methylsulfanylbut-1-ene
CID 154181892
(3S)-5-methylsulfanylpent-1-en-3-amine
CID 88911302

Frequently Asked Questions

What is the IUPAC name of CID 10906028?
The IUPAC name of CID 10906028 (CID 10906028) is not available.
What is the SMILES notation for CID 10906028?
The canonical SMILES for CID 10906028 is [CH2][CH][CH]CCSC.
What is the InChIKey of CID 10906028?
The InChIKey is QKKPMHLPGFXOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11S/c1-3-4-5-6-7-2/h3-4H,1,5-6H2,2H3.
What are the key properties of CID 10906028?
CID 10906028 has a molecular weight of 115.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10906028 is sourced from PubChem (CID 10906028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).