(NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine

C6H12N2O2S2 — CID 169174318

IUPAC(NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine
SMILESC/C(CSC/C(C)=N/SO)=N\O
InChIInChI=1S/C6H12N2O2S2/c1-5(7-9)3-11-4-6(2)8-12-10/h9-10H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyYZCHIEOEMCHMRP-KQQUZDAGSA-N
MW208.31 g/mol
LogP2.15
Rot. Bonds5

About (NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine

(NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine (PubChem CID 169174318) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is (NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine
PubChem CID169174318
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC Name(NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine
SMILESC/C(CSC/C(C)=N/SO)=N\O
InChIInChI=1S/C6H12N2O2S2/c1-5(7-9)3-11-4-6(2)8-12-10/h9-10H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyYZCHIEOEMCHMRP-KQQUZDAGSA-N
XLogP2.15
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,7-Dithiadecane-2,9-dione dioxime
CID 129817290
(NZ)-N-(1-propylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035494
(NE)-N-[1-[3-[(2Z)-2-hydroxyiminopropyl]sulfanylpropylsulfanyl]propan-2-ylidene]hydroxylamine
CID 135045168
N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine
CID 85973967
(NE)-N-(1-propan-2-ylsulfanylpropan-2-ylidene)hydroxylamine
CID 88791284
propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate
CID 154379756
(NE)-N-[1-[(2E)-2-hydroxyiminopropyl]sulfanylpropan-2-ylidene]hydroxylamine
CID 169174290
(NE)-N-(1-ethylsulfanylpropan-2-ylidene)hydroxylamine
CID 15373244
(NE)-N-[1-[2-[(2E)-2-hydroxyiminopropyl]sulfanylethylsulfanyl]propan-2-ylidene]hydroxylamine
CID 15387979
N-[1,3-bis(methylsulfanyl)propan-2-ylidene]hydroxylamine
CID 21565476
(NZ)-N-(1-ethylsulfanyl-3-sulfanylpropan-2-ylidene)hydroxylamine
CID 163384576
(NE)-N-[4-[2-[(3E)-3-hydroxyiminobutyl]sulfanylethylsulfanyl]butan-2-ylidene]hydroxylamine
CID 177456846

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine (CID 169174318) is (NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine is C/C(CSC/C(C)=N/SO)=N\O.
What is the InChIKey of (NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine?
The InChIKey is YZCHIEOEMCHMRP-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c1-5(7-9)3-11-4-6(2)8-12-10/h9-10H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of (NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine?
(NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine has a molecular weight of 208.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[(2E)-2-hydroxysulfanyliminopropyl]sulfanylpropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 169174318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).