azane;bis(2,4-bis(sulfanyl)pentanenitrile)

C10H21N3S4 — CID 159728471

IUPACazane;bis(2,4-bis(sulfanyl)pentanenitrile)
SMILESCC(S)CC(S)C#N.CC(S)CC(S)C#N.N
InChIInChI=1S/2C5H9NS2.H3N/c2*1-4(7)2-5(8)3-6;/h2*4-5,7-8H,2H2,1H3;1H3
InChIKeyIPCOGHVOPRPLEK-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.20
Rot. Bonds4

About azane;bis(2,4-bis(sulfanyl)pentanenitrile)

azane;bis(2,4-bis(sulfanyl)pentanenitrile) (PubChem CID 159728471) has the molecular formula C10H21N3S4 and a molecular weight of 311.57 g/mol. Its IUPAC name is azane;bis(2,4-bis(sulfanyl)pentanenitrile).

Molecular Properties

Compound Nameazane;bis(2,4-bis(sulfanyl)pentanenitrile)
PubChem CID159728471
Molecular FormulaC10H21N3S4
Molecular Weight311.57 g/mol
Exact Mass311.06
IUPAC Nameazane;bis(2,4-bis(sulfanyl)pentanenitrile)
SMILESCC(S)CC(S)C#N.CC(S)CC(S)C#N.N
InChIInChI=1S/2C5H9NS2.H3N/c2*1-4(7)2-5(8)3-6;/h2*4-5,7-8H,2H2,1H3;1H3
InChIKeyIPCOGHVOPRPLEK-UHFFFAOYSA-N
XLogP3.20
TPSA82.58 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-sulfanylhexanenitrile
CID 123379431
azane;bis(2-methylpropanenitrile)
CID 146171697
3-methyl-2-sulfanylbutanenitrile
CID 144612060
4-methoxy-2,4-bis(sulfanyl)pentanenitrile
CID 150207950
4-methylhexane-2-thiol
CID 118408807
(2S)-2,4-dimethylpentanenitrile
CID 121493485
(2S,4R)-4-bromo-2-methylpentanenitrile
CID 124509329
hydron;bis(2-methylpropanenitrile)
CID 174938927
2-methylpropanedinitrile
CID 19425
4-butan-2-yl-5-methylheptane-2-thiol
CID 87156915
(3R,5S)-5-sulfanylhexan-3-ol
CID 101345541
2-(3-methylbutan-2-yl)propanedinitrile
CID 11788325

Frequently Asked Questions

What is the IUPAC name of azane;bis(2,4-bis(sulfanyl)pentanenitrile)?
The IUPAC name of azane;bis(2,4-bis(sulfanyl)pentanenitrile) (CID 159728471) is azane;bis(2,4-bis(sulfanyl)pentanenitrile).
What is the SMILES notation for azane;bis(2,4-bis(sulfanyl)pentanenitrile)?
The canonical SMILES for azane;bis(2,4-bis(sulfanyl)pentanenitrile) is CC(S)CC(S)C#N.CC(S)CC(S)C#N.N.
What is the InChIKey of azane;bis(2,4-bis(sulfanyl)pentanenitrile)?
The InChIKey is IPCOGHVOPRPLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9NS2.H3N/c2*1-4(7)2-5(8)3-6;/h2*4-5,7-8H,2H2,1H3;1H3.
What are the key properties of azane;bis(2,4-bis(sulfanyl)pentanenitrile)?
azane;bis(2,4-bis(sulfanyl)pentanenitrile) has a molecular weight of 311.57 g/mol, XLogP of 3.20, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(2,4-bis(sulfanyl)pentanenitrile) is sourced from PubChem (CID 159728471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).