2-(butan-2-ylhexasulfanyl)butane

C8H18S6 — CID 102352533

IUPAC2-(butan-2-ylhexasulfanyl)butane
SMILESCCC(C)SSSSSSC(C)CC
InChIInChI=1S/C8H18S6/c1-5-7(3)9-11-13-14-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyMDTXRXIAGGYRLV-UHFFFAOYSA-N
MW306.63 g/mol
LogP6.56
Rot. Bonds9

About 2-(butan-2-ylhexasulfanyl)butane

2-(butan-2-ylhexasulfanyl)butane (PubChem CID 102352533) has the molecular formula C8H18S6 and a molecular weight of 306.63 g/mol. Its IUPAC name is 2-(butan-2-ylhexasulfanyl)butane.

Molecular Properties

Compound Name2-(butan-2-ylhexasulfanyl)butane
PubChem CID102352533
Molecular FormulaC8H18S6
Molecular Weight306.63 g/mol
Exact Mass305.97
IUPAC Name2-(butan-2-ylhexasulfanyl)butane
SMILESCCC(C)SSSSSSC(C)CC
InChIInChI=1S/C8H18S6/c1-5-7(3)9-11-13-14-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyMDTXRXIAGGYRLV-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.63
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
2-(prop-1-enyldisulfanyl)butane
CID 73037756
2-butan-2-ylsulfanylselanylsulfanylbutane
CID 15832557
(2S)-2-propan-2-ylsulfanylbutane
CID 92859736
(2R)-2-propan-2-ylsulfanylbutane
CID 92859735
2-ethylsulfanylbutane
CID 521270
(2R)-2-hydroxysulfanylbutane
CID 142533001
4-(butan-2-yldisulfanyl)pentan-2-one
CID 162715141
2-(propan-2-yloxymethyldisulfanyl)butane
CID 139445129
N,N'-bis(butan-2-yldisulfanyl)oxamide
CID 21150748
1,1,1-triethoxy-3-(4,4,4-triethoxybutan-2-yltetrasulfanyl)butane
CID 157468391
2-(fluoromethylsulfanyl)butane
CID 139914131

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylhexasulfanyl)butane?
The IUPAC name of 2-(butan-2-ylhexasulfanyl)butane (CID 102352533) is 2-(butan-2-ylhexasulfanyl)butane.
What is the SMILES notation for 2-(butan-2-ylhexasulfanyl)butane?
The canonical SMILES for 2-(butan-2-ylhexasulfanyl)butane is CCC(C)SSSSSSC(C)CC.
What is the InChIKey of 2-(butan-2-ylhexasulfanyl)butane?
The InChIKey is MDTXRXIAGGYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S6/c1-5-7(3)9-11-13-14-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(butan-2-ylhexasulfanyl)butane?
2-(butan-2-ylhexasulfanyl)butane has a molecular weight of 306.63 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylhexasulfanyl)butane is sourced from PubChem (CID 102352533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).