S-pentan-2-ylthiohydroxylamine;urea

C6H17N3OS — CID 174856367

IUPACS-pentan-2-ylthiohydroxylamine;urea
SMILESCCCC(C)SN.NC(N)=O
InChIInChI=1S/C5H13NS.CH4N2O/c1-3-4-5(2)7-6;2-1(3)4/h5H,3-4,6H2,1-2H3;(H4,2,3,4)
InChIKeyNTVOSYFHBQHDCX-UHFFFAOYSA-N
MW179.29 g/mol
LogP0.81
Rot. Bonds3

About S-pentan-2-ylthiohydroxylamine;urea

S-pentan-2-ylthiohydroxylamine;urea (PubChem CID 174856367) has the molecular formula C6H17N3OS and a molecular weight of 179.29 g/mol. Its IUPAC name is S-pentan-2-ylthiohydroxylamine;urea.

Molecular Properties

Compound NameS-pentan-2-ylthiohydroxylamine;urea
PubChem CID174856367
Molecular FormulaC6H17N3OS
Molecular Weight179.29 g/mol
Exact Mass179.11
IUPAC NameS-pentan-2-ylthiohydroxylamine;urea
SMILESCCCC(C)SN.NC(N)=O
InChIInChI=1S/C5H13NS.CH4N2O/c1-3-4-5(2)7-6;2-1(3)4/h5H,3-4,6H2,1-2H3;(H4,2,3,4)
InChIKeyNTVOSYFHBQHDCX-UHFFFAOYSA-N
XLogP0.81
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methyl-2-oxohexanamide
CID 145466724
2,3-dimethylhexanamide
CID 55291364
S-pentan-2-yl prop-2-enethioate
CID 155664170
N-pentan-2-ylsulfanylcarbamoyl chloride
CID 88674029
tetraethylazanium;urea;hydroxide
CID 175541942
2-hydroxy-3-methylhexanamide
CID 62226604
butane;2-hydroxypropanamide
CID 87347972
(6S)-4,6-dimethylnonan-5-one
CID 177467625
ethyl 2-butan-2-ylsulfanylpentanoate
CID 83038270
2-pentan-2-ylsulfanylbutanedioic acid
CID 88958866
(2-methylpentanoylamino)thiourea
CID 65217200
4-(pentan-2-ylamino)benzamide
CID 43193030

Frequently Asked Questions

What is the IUPAC name of S-pentan-2-ylthiohydroxylamine;urea?
The IUPAC name of S-pentan-2-ylthiohydroxylamine;urea (CID 174856367) is S-pentan-2-ylthiohydroxylamine;urea.
What is the SMILES notation for S-pentan-2-ylthiohydroxylamine;urea?
The canonical SMILES for S-pentan-2-ylthiohydroxylamine;urea is CCCC(C)SN.NC(N)=O.
What is the InChIKey of S-pentan-2-ylthiohydroxylamine;urea?
The InChIKey is NTVOSYFHBQHDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.CH4N2O/c1-3-4-5(2)7-6;2-1(3)4/h5H,3-4,6H2,1-2H3;(H4,2,3,4).
What are the key properties of S-pentan-2-ylthiohydroxylamine;urea?
S-pentan-2-ylthiohydroxylamine;urea has a molecular weight of 179.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-pentan-2-ylthiohydroxylamine;urea is sourced from PubChem (CID 174856367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).