stannane;sulfanyl 2-butylhexanoate

C10H24O2SSn — CID 173108176

IUPACstannane;sulfanyl 2-butylhexanoate
SMILESCCCCC(CCCC)C(=O)OS.[SnH4]
InChIInChI=1S/C10H20O2S.Sn.4H/c1-3-5-7-9(8-6-4-2)10(11)12-13;;;;;/h9,13H,3-8H2,1-2H3;;;;;
InChIKeyZICVTSPWKRNRGP-UHFFFAOYSA-N
MW327.08 g/mol
LogP1.92
Rot. Bonds7

About stannane;sulfanyl 2-butylhexanoate

stannane;sulfanyl 2-butylhexanoate (PubChem CID 173108176) has the molecular formula C10H24O2SSn and a molecular weight of 327.08 g/mol. Its IUPAC name is stannane;sulfanyl 2-butylhexanoate.

Molecular Properties

Compound Namestannane;sulfanyl 2-butylhexanoate
PubChem CID173108176
Molecular FormulaC10H24O2SSn
Molecular Weight327.08 g/mol
Exact Mass328.05
IUPAC Namestannane;sulfanyl 2-butylhexanoate
SMILESCCCCC(CCCC)C(=O)OS.[SnH4]
InChIInChI=1S/C10H20O2S.Sn.4H/c1-3-5-7-9(8-6-4-2)10(11)12-13;;;;;/h9,13H,3-8H2,1-2H3;;;;;
InChIKeyZICVTSPWKRNRGP-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.08
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

butyl 2-butylhexanoate;stannane
CID 172996715
tetradecyl 2-butylhexanoate
CID 91318887
2-butylhexanoyloxy 2-butylhexaneperoxoate
CID 157198454
butyl 2-butyldocosanoate
CID 175080024
octyl 2-butyldocosanoate
CID 174740469
sulfanyl (Z)-2-ethyloctadec-9-enoate
CID 175507443
2-hydroxyethyl 2-propylhexanoate
CID 58491956
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
decyl 2-octyltetradecanoate
CID 87368194
decyl 2-hexylpentadecanoate
CID 175318740
germane;pentyl 2-pentylheptanoate
CID 173457558
tridecyl 2-hexadecylicosanoate
CID 159510432

Frequently Asked Questions

What is the IUPAC name of stannane;sulfanyl 2-butylhexanoate?
The IUPAC name of stannane;sulfanyl 2-butylhexanoate (CID 173108176) is stannane;sulfanyl 2-butylhexanoate.
What is the SMILES notation for stannane;sulfanyl 2-butylhexanoate?
The canonical SMILES for stannane;sulfanyl 2-butylhexanoate is CCCCC(CCCC)C(=O)OS.[SnH4].
What is the InChIKey of stannane;sulfanyl 2-butylhexanoate?
The InChIKey is ZICVTSPWKRNRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S.Sn.4H/c1-3-5-7-9(8-6-4-2)10(11)12-13;;;;;/h9,13H,3-8H2,1-2H3;;;;;.
What are the key properties of stannane;sulfanyl 2-butylhexanoate?
stannane;sulfanyl 2-butylhexanoate has a molecular weight of 327.08 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for stannane;sulfanyl 2-butylhexanoate is sourced from PubChem (CID 173108176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).