(2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile

C5H8N2OS — CID 135197496

IUPAC(2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile
SMILESCC/C(C#N)=C(\N)SO
InChIInChI=1S/C5H8N2OS/c1-2-4(3-6)5(7)9-8/h8H,2,7H2,1H3/b5-4-
InChIKeyCOLYKWPUOUUDPO-PLNGDYQASA-N
MW144.20 g/mol
LogP1.30
Rot. Bonds2

About (2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile

(2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile (PubChem CID 135197496) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is (2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile.

Molecular Properties

Compound Name(2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile
PubChem CID135197496
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name(2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile
SMILESCC/C(C#N)=C(\N)SO
InChIInChI=1S/C5H8N2OS/c1-2-4(3-6)5(7)9-8/h8H,2,7H2,1H3/b5-4-
InChIKeyCOLYKWPUOUUDPO-PLNGDYQASA-N
XLogP1.30
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-2-ethylpent-2-enenitrile
CID 23331669
(2Z)-2-[amino-(3,5-dibromophenyl)methylidene]butanenitrile
CID 107981277
(Z)-2-ethyl-3-(methylamino)but-2-enedinitrile
CID 12558801
3-chloro-2-ethyl-4,4-dimethylpent-2-enenitrile
CID 76922630
2-[chloro-(1-methylcyclohexyl)methylidene]butanenitrile
CID 106827786
2-ethyl-3-phenylsulfanylbut-2-enenitrile
CID 139616080
(Z)-2-aminopent-2-enenitrile
CID 21160287
(2Z)-2-[amino-(2-fluoro-4-methoxyphenyl)methylidene]butanenitrile
CID 102885932
acetonitrile;guanidine
CID 158129797
(2Z)-2-[amino-[2-bromo-5-(trifluoromethyl)phenyl]methylidene]butanenitrile
CID 113365298
(2Z)-2-[amino-(2-methyl-6-nitrophenyl)methylidene]butanenitrile
CID 113365294
2-(1-cyanopropylidene)octanoic acid
CID 87122961

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile?
The IUPAC name of (2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile (CID 135197496) is (2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile.
What is the SMILES notation for (2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile?
The canonical SMILES for (2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile is CC/C(C#N)=C(\N)SO.
What is the InChIKey of (2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile?
The InChIKey is COLYKWPUOUUDPO-PLNGDYQASA-N. The full InChI is InChI=1S/C5H8N2OS/c1-2-4(3-6)5(7)9-8/h8H,2,7H2,1H3/b5-4-.
What are the key properties of (2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile?
(2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile has a molecular weight of 144.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[amino(hydroxysulfanyl)methylidene]butanenitrile is sourced from PubChem (CID 135197496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).