propan-2-ylsulfanylcarbamic acid;hydrochloride

C4H10ClNO2S — CID 88673990

IUPACpropan-2-ylsulfanylcarbamic acid;hydrochloride
SMILESCC(C)SNC(=O)O.Cl
InChIInChI=1S/C4H9NO2S.ClH/c1-3(2)8-5-4(6)7;/h3,5H,1-2H3,(H,6,7);1H
InChIKeyAXLDQCOKMJJNCV-UHFFFAOYSA-N
MW171.65 g/mol
LogP1.73
Rot. Bonds2

About propan-2-ylsulfanylcarbamic acid;hydrochloride

propan-2-ylsulfanylcarbamic acid;hydrochloride (PubChem CID 88673990) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is propan-2-ylsulfanylcarbamic acid;hydrochloride.

Molecular Properties

Compound Namepropan-2-ylsulfanylcarbamic acid;hydrochloride
PubChem CID88673990
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Namepropan-2-ylsulfanylcarbamic acid;hydrochloride
SMILESCC(C)SNC(=O)O.Cl
InChIInChI=1S/C4H9NO2S.ClH/c1-3(2)8-5-4(6)7;/h3,5H,1-2H3,(H,6,7);1H
InChIKeyAXLDQCOKMJJNCV-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(carboxyamino)disulfanyl]carbamic acid
CID 18413635
hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane
CID 158608952
(carbonofluoridoylamino)sulfanylcarbamic acid
CID 23317742
1-propan-2-ylsulfanyl-3-[(2,2,2-trifluoroacetyl)amino]urea
CID 88662586
S-propan-2-yl N-aminocarbamothioate
CID 88822344
carbonic acid;2-methylpropane
CID 87262286
2-methylbutanoylcarbamic acid
CID 87928192
(2S)-2-(iodoamino)propanoic acid
CID 54416510
1,1-bis(propan-2-ylsulfanyl)propan-2-one
CID 172516908
cyclopentane;propan-2-ylcarbamic acid
CID 169143516
ethyl 2-propan-2-ylsulfanylpentanoate
CID 83037913
N-pentan-2-ylsulfanylcarbamoyl chloride
CID 88674029

Frequently Asked Questions

What is the IUPAC name of propan-2-ylsulfanylcarbamic acid;hydrochloride?
The IUPAC name of propan-2-ylsulfanylcarbamic acid;hydrochloride (CID 88673990) is propan-2-ylsulfanylcarbamic acid;hydrochloride.
What is the SMILES notation for propan-2-ylsulfanylcarbamic acid;hydrochloride?
The canonical SMILES for propan-2-ylsulfanylcarbamic acid;hydrochloride is CC(C)SNC(=O)O.Cl.
What is the InChIKey of propan-2-ylsulfanylcarbamic acid;hydrochloride?
The InChIKey is AXLDQCOKMJJNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.ClH/c1-3(2)8-5-4(6)7;/h3,5H,1-2H3,(H,6,7);1H.
What are the key properties of propan-2-ylsulfanylcarbamic acid;hydrochloride?
propan-2-ylsulfanylcarbamic acid;hydrochloride has a molecular weight of 171.65 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylsulfanylcarbamic acid;hydrochloride is sourced from PubChem (CID 88673990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).