Home Other Building Blocks 1-methyl-1-[3-(methylsulfanyl)phenyl]thiourea

1-methyl-1-[3-(methylsulfanyl)phenyl]thiourea

CAS No.:
1421606-02-1
Catalog Number:
AG01A11L
Molecular Formula:
C9H12N2S2
Molecular Weight:
212.3350
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Product Description
Catalog Number:
AG01A11L
Chemical Name:
1-methyl-1-[3-(methylsulfanyl)phenyl]thiourea
CAS Number:
1421606-02-1
Molecular Formula:
C9H12N2S2
Molecular Weight:
212.3350
MDL Number:
MFCD22392130
IUPAC Name:
1-methyl-1-(3-methylsulfanylphenyl)thiourea
InChI:
InChI=1S/C9H12N2S2/c1-11(9(10)12)7-4-3-5-8(6-7)13-2/h3-6H,1-2H3,(H2,10,12)
InChI Key:
DAPXVWQNXCPKEH-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)N(C(=S)N)C
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.329g/mol
Monoisotopic Mass:
212.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties