1-(1-bromopropylsulfanyl)pentane

C8H17BrS — CID 88812435

IUPAC1-(1-bromopropylsulfanyl)pentane
SMILESCCCCCSC(Br)CC
InChIInChI=1S/C8H17BrS/c1-3-5-6-7-10-8(9)4-2/h8H,3-7H2,1-2H3
InChIKeyPIDSECMKOPCFFS-UHFFFAOYSA-N
MW225.19 g/mol
LogP4.04
Rot. Bonds6

About 1-(1-bromopropylsulfanyl)pentane

1-(1-bromopropylsulfanyl)pentane (PubChem CID 88812435) has the molecular formula C8H17BrS and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-(1-bromopropylsulfanyl)pentane.

Molecular Properties

Compound Name1-(1-bromopropylsulfanyl)pentane
PubChem CID88812435
Molecular FormulaC8H17BrS
Molecular Weight225.19 g/mol
Exact Mass224.02
IUPAC Name1-(1-bromopropylsulfanyl)pentane
SMILESCCCCCSC(Br)CC
InChIInChI=1S/C8H17BrS/c1-3-5-6-7-10-8(9)4-2/h8H,3-7H2,1-2H3
InChIKeyPIDSECMKOPCFFS-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 15323068
CID 15323068
CID 13124164
CID 13124164
CID 13839965
CID 13839965
CID 13839966
CID 13839966
CID 14312893
CID 14312893
CID 15158815
CID 15158815
CID 43445845
CID 43445845
CID 43445853
CID 43445853
CID 129724281
CID 129724281
CID 71439217
CID 71439217
CID 12943309
CID 12943309
CID 13839964
CID 13839964

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropylsulfanyl)pentane?
The IUPAC name of 1-(1-bromopropylsulfanyl)pentane (CID 88812435) is 1-(1-bromopropylsulfanyl)pentane.
What is the SMILES notation for 1-(1-bromopropylsulfanyl)pentane?
The canonical SMILES for 1-(1-bromopropylsulfanyl)pentane is CCCCCSC(Br)CC.
What is the InChIKey of 1-(1-bromopropylsulfanyl)pentane?
The InChIKey is PIDSECMKOPCFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrS/c1-3-5-6-7-10-8(9)4-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-(1-bromopropylsulfanyl)pentane?
1-(1-bromopropylsulfanyl)pentane has a molecular weight of 225.19 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropylsulfanyl)pentane is sourced from PubChem (CID 88812435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).