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Home Nitros (3-nitroso-1,3-thiazolidin-2-yl)methanol

(3-nitroso-1,3-thiazolidin-2-yl)methanol

CAS No.:
979-02-2
Catalog Number:
AG00H6XZ
Molecular Formula:
C4H8N2O2S
Molecular Weight:
148.1835
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$47
- +
1g
95%
In Stock USA
United States
$86
- +
5g
95%
In Stock USA
United States
$216
- +
25g
95%
In Stock USA
United States
$741
- +
Product Description
Catalog Number:
AG00H6XZ
Chemical Name:
(3-nitroso-1,3-thiazolidin-2-yl)methanol
CAS Number:
979-02-2
Molecular Formula:
C4H8N2O2S
Molecular Weight:
148.1835
MDL Number:
MFCD00051130
IUPAC Name:
[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChI:
InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1
InChI Key:
MZWRIOUCMXPLKV-RFOVXIPZSA-N
SMILES:
OCC1SCCN1N=O
EC Number:
213-558-7
NSC Number:
37741
Properties
Complexity:
702  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
356.235g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.506g/mol
Monoisotopic Mass:
356.235g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Aza-annulation on the 16-dehydropregnenolone, via tandem intermolecular aldol process and intramolecular Michael addition. Bioorganic & medicinal chemistry letters 20110415
[Acylhydrazones of 20-keto steroids and their transformations: I. Synthesis and properties of 1'-acyl-substituted 3'-methylandrosteno[16,17-d]pyrazolines]. Bioorganicheskaia khimiia 20070101
New 5alpha-reductase inhibitors: in vitro and in vivo effects. Steroids 20050301
Properties