2-nitrososulfanyl-3-propan-2-ylsulfanylbutane

C7H15NOS2 — CID 139337636

IUPAC2-nitrososulfanyl-3-propan-2-ylsulfanylbutane
SMILESCC(C)SC(C)C(C)SN=O
InChIInChI=1S/C7H15NOS2/c1-5(2)10-6(3)7(4)11-8-9/h5-7H,1-4H3
InChIKeyOXZDMVCRGYGYPO-UHFFFAOYSA-N
MW193.34 g/mol
LogP3.32
Rot. Bonds5

About 2-nitrososulfanyl-3-propan-2-ylsulfanylbutane

2-nitrososulfanyl-3-propan-2-ylsulfanylbutane (PubChem CID 139337636) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is 2-nitrososulfanyl-3-propan-2-ylsulfanylbutane.

Molecular Properties

Compound Name2-nitrososulfanyl-3-propan-2-ylsulfanylbutane
PubChem CID139337636
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC Name2-nitrososulfanyl-3-propan-2-ylsulfanylbutane
SMILESCC(C)SC(C)C(C)SN=O
InChIInChI=1S/C7H15NOS2/c1-5(2)10-6(3)7(4)11-8-9/h5-7H,1-4H3
InChIKeyOXZDMVCRGYGYPO-UHFFFAOYSA-N
XLogP3.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nitrososulfanyl-3-propan-2-ylsulfanylbutane?
The IUPAC name of 2-nitrososulfanyl-3-propan-2-ylsulfanylbutane (CID 139337636) is 2-nitrososulfanyl-3-propan-2-ylsulfanylbutane.
What is the SMILES notation for 2-nitrososulfanyl-3-propan-2-ylsulfanylbutane?
The canonical SMILES for 2-nitrososulfanyl-3-propan-2-ylsulfanylbutane is CC(C)SC(C)C(C)SN=O.
What is the InChIKey of 2-nitrososulfanyl-3-propan-2-ylsulfanylbutane?
The InChIKey is OXZDMVCRGYGYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-5(2)10-6(3)7(4)11-8-9/h5-7H,1-4H3.
What are the key properties of 2-nitrososulfanyl-3-propan-2-ylsulfanylbutane?
2-nitrososulfanyl-3-propan-2-ylsulfanylbutane has a molecular weight of 193.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrososulfanyl-3-propan-2-ylsulfanylbutane is sourced from PubChem (CID 139337636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).