propan-2-amine;sulfurothioic O-acid

C3H11NO3S2 — CID 20510318

IUPACpropan-2-amine;sulfurothioic O-acid
SMILESCC(C)N.O=S(O)(O)=S
InChIInChI=1S/C3H9N.H2O3S2/c1-3(2)4;1-5(2,3)4/h3H,4H2,1-2H3;(H2,1,2,3,4)
InChIKeyMYSIFTWVBWJUKK-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.03
Rot. Bonds

About propan-2-amine;sulfurothioic O-acid

propan-2-amine;sulfurothioic O-acid (PubChem CID 20510318) has the molecular formula C3H11NO3S2 and a molecular weight of 173.26 g/mol. Its IUPAC name is propan-2-amine;sulfurothioic O-acid.

Molecular Properties

Compound Namepropan-2-amine;sulfurothioic O-acid
PubChem CID20510318
Molecular FormulaC3H11NO3S2
Molecular Weight173.26 g/mol
Exact Mass173.02
IUPAC Namepropan-2-amine;sulfurothioic O-acid
SMILESCC(C)N.O=S(O)(O)=S
InChIInChI=1S/C3H9N.H2O3S2/c1-3(2)4;1-5(2,3)4/h3H,4H2,1-2H3;(H2,1,2,3,4)
InChIKeyMYSIFTWVBWJUKK-UHFFFAOYSA-N
XLogP0.03
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Isopropylsulfamic acid
CID 65283
Isopropylamine sulfate
CID 62170
N-isopropylsulfonamide
CID 21260271
[(2S)-1-azaniumylpropan-2-yl]azanium;dioxido-oxo-sulfanylidene-lambda6-sulfane;hydrate
CID 139064635
[(2R)-1-azaniumylpropan-2-yl]azanium;dioxido-oxo-sulfanylidene-lambda6-sulfane;hydrate
CID 139064636
1-(Sulfinoamino)propane
CID 18668240
2-(Sulfinoamino)propane
CID 19096109
Butan-2-ylsulfamic acid
CID 20542153
ethanamine;sulfurothioic O-acid
CID 22023273
Hydrogen sulfite;propan-2-ylazanium
CID 22486968
N-(trihydroxy-lambda4-sulfanyl)propan-2-amine
CID 23575564
Propan-2-ylsulfamic acid;rutherfordium
CID 59403103

Frequently Asked Questions

What is the IUPAC name of propan-2-amine;sulfurothioic O-acid?
The IUPAC name of propan-2-amine;sulfurothioic O-acid (CID 20510318) is propan-2-amine;sulfurothioic O-acid.
What is the SMILES notation for propan-2-amine;sulfurothioic O-acid?
The canonical SMILES for propan-2-amine;sulfurothioic O-acid is CC(C)N.O=S(O)(O)=S.
What is the InChIKey of propan-2-amine;sulfurothioic O-acid?
The InChIKey is MYSIFTWVBWJUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.H2O3S2/c1-3(2)4;1-5(2,3)4/h3H,4H2,1-2H3;(H2,1,2,3,4).
What are the key properties of propan-2-amine;sulfurothioic O-acid?
propan-2-amine;sulfurothioic O-acid has a molecular weight of 173.26 g/mol, XLogP of 0.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-amine;sulfurothioic O-acid is sourced from PubChem (CID 20510318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).