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79645-01-5

79645-01-5 | 1,3-dimethyl-1-nitroso-thiourea

CAS No: 79645-01-5 Catalog No: AG00514V MDL No:

Product Description

Catalog Number:
AG00514V
Chemical Name:
1,3-dimethyl-1-nitroso-thiourea
CAS Number:
79645-01-5
Molecular Formula:
C3H7N3OS
Molecular Weight:
133.1722
IUPAC Name:
1,3-dimethyl-1-nitrosothiourea
InChI:
InChI=1S/C3H7N3OS/c1-4-3(8)6(2)5-7/h1-2H3,(H,4,8)
InChI Key:
IUCMUVKUUCOJLI-UHFFFAOYSA-N
SMILES:
CN(C(=S)NC)N=O
NSC Number:
44575

Properties

Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.031g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
133.169g/mol
Monoisotopic Mass:
133.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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