Benzothioamide

CAT: 1299-RG-B051452-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-B051452-02Size:25 mg

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CAS Number

2227-79-4

Synonyms

Benzothioamide

Molecular Formula

C7H7NS

Molecular Weight

137.2

Product Name Synonym

Benzothioamide

Chemical Information

Thiobenzamide

Thiobenzamide is a member of benzenes.

CAS Number	2227-79-4
PubChem CID	683563
IUPAC Name	benzenecarbothioamide
Molecular Formula	C7H7NS
Molecular Weight	137.20
XLogP	1.5
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	105

SMILES

C1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)

InChIKey

QIOZLISABUUKJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2227-79-4

CID: 683563

Formula: C7H7NS

MW: 137.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.20
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	137.02992040
Monoisotopic Mass	137.02992040
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-W015801S-01	Benzothioamide-d5
OR1011162-01	4- (Benzyloxy) Benzothioamide
OR1046267-01	N- (4-Methoxyphenyl) benzothioamide
OR1101592	N- (4-Nitrophenyl) benzothioamide
JH352212	4- (tert-Butyl) benzothioamide
OR1048905-01	N- (3-Bromophenyl) benzothioamide
OR1101604	N- (4-Iodophenyl) benzothioamide
OR1058713-01	N- (p-Tolyl) benzothioamide
PC1004896-01	N- (4-Fluorophenyl) benzothioamide
PC1003356-01	N- (4-Methyl-3-nitrophenyl) -4- (trifluoromethyl) benzothioamide