(NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine

C5H8N2O2S — CID 135052201

IUPAC(NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine
SMILESO/N=C1\CSC/C(=N/O)C1
InChIInChI=1S/C5H8N2O2S/c8-6-4-1-5(7-9)3-10-2-4/h8-9H,1-3H2/b6-4-,7-5+
InChIKeyOWCNPGQNYRJXMA-XGXWUAJZSA-N
MW160.20 g/mol
LogP0.78
Rot. Bonds

About (NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine

(NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine (PubChem CID 135052201) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is (NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine
PubChem CID135052201
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name(NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine
SMILESO/N=C1\CSC/C(=N/O)C1
InChIInChI=1S/C5H8N2O2S/c8-6-4-1-5(7-9)3-10-2-4/h8-9H,1-3H2/b6-4-,7-5+
InChIKeyOWCNPGQNYRJXMA-XGXWUAJZSA-N
XLogP0.78
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

Tetrahydrothiopyran-4-one oxime
CID 237774
Thioxan-3-one, oxime
CID 5708639
4-(Hydroxyimino)tetrahydro-2H-thiopyran 1,1-dioxide
CID 523229
N-(thian-3-ylidene)hydroxylamine
CID 582808
(NZ)-N-(thian-3-ylidene)hydroxylamine
CID 5371780
N,N'-Thiane-3,5-diylidenedihydroxylamine
CID 71327622
N-(thian-2-ylidene)hydroxylamine
CID 140462052
propan-2-yl N-hydroxy-2-hydroxyiminopropanimidothioate
CID 154379756
(NE)-N-[1-[(2E)-2-hydroxyiminopropyl]sulfanylpropan-2-ylidene]hydroxylamine
CID 169174290
(NE)-N-(1,1-dioxothian-3-ylidene)hydroxylamine
CID 63924457
N-(1,1-dioxothian-3-ylidene)hydroxylamine
CID 77013100
N-(2-methylthian-3-ylidene)hydroxylamine
CID 79954121

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine (CID 135052201) is (NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine is O/N=C1\CSC/C(=N/O)C1.
What is the InChIKey of (NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine?
The InChIKey is OWCNPGQNYRJXMA-XGXWUAJZSA-N. The full InChI is InChI=1S/C5H8N2O2S/c8-6-4-1-5(7-9)3-10-2-4/h8-9H,1-3H2/b6-4-,7-5+.
What are the key properties of (NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine?
(NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine has a molecular weight of 160.20 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5Z)-5-hydroxyiminothian-3-ylidene]hydroxylamine is sourced from PubChem (CID 135052201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).