(NZ)-N-(thian-3-ylidene)hydroxylamine

C5H9NOS — CID 5371780

IUPAC(NZ)-N-(thian-3-ylidene)hydroxylamine
SMILESO/N=C1/CCCSC1
InChIInChI=1S/C5H9NOS/c7-6-5-2-1-3-8-4-5/h7H,1-4H2/b6-5-
InChIKeyDOXKWMJZWDDLLX-WAYWQWQTSA-N
MW131.20 g/mol
LogP1.34
Rot. Bonds

About (NZ)-N-(thian-3-ylidene)hydroxylamine

(NZ)-N-(thian-3-ylidene)hydroxylamine (PubChem CID 5371780) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (NZ)-N-(thian-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(thian-3-ylidene)hydroxylamine
PubChem CID5371780
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(NZ)-N-(thian-3-ylidene)hydroxylamine
SMILESO/N=C1/CCCSC1
InChIInChI=1S/C5H9NOS/c7-6-5-2-1-3-8-4-5/h7H,1-4H2/b6-5-
InChIKeyDOXKWMJZWDDLLX-WAYWQWQTSA-N
XLogP1.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
2-Butanone, 3-(methylthio)-, oxime
CID 2794915
1,3-Dithian-5-one, 2-methyl-, oxime
CID 301031
2-Methylthio-cyclohexanone oxime
CID 139063779
3-(Methylsulfanyl)butan-2-one oxime
CID 5712107
3-(Methylthio)butan-2-one oxime
CID 5745504
(NZ)-N-(1-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 6365421
1-(Methylthio)butan-2-one oxime
CID 6432885
Thioxan-3-one, oxime
CID 5708639
Methyl(2-methylthioethyl)ketone oxime
CID 85711716
(NZ)-N-(1-propylsulfanylpropan-2-ylidene)hydroxylamine
CID 135035494
(NE)-N-[1-(2-methyl-1,3-dithian-2-yl)propan-2-ylidene]hydroxylamine
CID 135041200

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(thian-3-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(thian-3-ylidene)hydroxylamine (CID 5371780) is (NZ)-N-(thian-3-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(thian-3-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(thian-3-ylidene)hydroxylamine is O/N=C1/CCCSC1.
What is the InChIKey of (NZ)-N-(thian-3-ylidene)hydroxylamine?
The InChIKey is DOXKWMJZWDDLLX-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H9NOS/c7-6-5-2-1-3-8-4-5/h7H,1-4H2/b6-5-.
What are the key properties of (NZ)-N-(thian-3-ylidene)hydroxylamine?
(NZ)-N-(thian-3-ylidene)hydroxylamine has a molecular weight of 131.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(thian-3-ylidene)hydroxylamine is sourced from PubChem (CID 5371780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).