sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks {[(3-methylphenyl)methyl]sulfanyl}methanimidamide

{[(3-methylphenyl)methyl]sulfanyl}methanimidamide

CAS No.:
763905-22-2
Catalog Number:
AG019NWT
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019NWT
Chemical Name:
{[(3-methylphenyl)methyl]sulfanyl}methanimidamide
CAS Number:
763905-22-2
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
MDL Number:
MFCD06378230
IUPAC Name:
(3-methylphenyl)methyl carbamimidothioate
InChI:
InChI=1S/C9H12N2S/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
InChI Key:
XMHABLGHQHBPRC-UHFFFAOYSA-N
SMILES:
NC(=N)SCc1cccc(c1)C
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.269g/mol
Monoisotopic Mass:
180.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties